SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
CC[C@H]1CN(C(=O)C2=CCCC2)CC[C@@H]1NC(=O)c1c[nH]nc1C(C)(C)C
|
CC[C@H]CNC=O)C=CCCC5))))))CC[C@@H]6NC=O)cc[nH]nc5CC)C)C
|
[C][C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Branch1][C][C][C@@H1][Ring1][=N][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
[C@H]18CN3CC[C@@H]15.C3(=O)C1=CCCC1.c16c[nH]nc17.C7(C)(C)C.C46=O.CC8.N45
|
COCC1(NC(=O)C2[C@@H]3COC[C@@H]23)CN(C(=O)C[C@H]2NC(=O)NC2=O)C1
|
COCCNC=O)C[C@@H]COC[C@@H]65))))))))CNC=O)C[C@H]NC=O)NC5=O))))))))C4
|
[C][O][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C@@H1][C][O][C][C@@H1][Ring1][=Branch1][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][C@H1][N][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][#Branch1]
|
[C@H]19NC(=O)NC1=O.C17%10CN5C1.C18[C@@H]2COC[C@@H]12.C5(=O)C9.C48=O.CO6.C6%10.N47
|
Cc1csc2c(C(=O)N3CCC(C(C)(C)NC(=O)[C@H]4C=CCC4)CC3)cccc12
|
CccsccC=O)NCCCCC)C)NC=O)[C@H]C=CCC5))))))))CC6)))))))cccc96
|
[C][C][=C][S][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][=C][C][C][Ring1][Branch1][C][C][Ring1][P][C][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][=Branch2]
|
Cc1csc2c9cccc12.N15CCC%10CC1.[C@H]18C=CCC1.C7%10(C)C.C59=O.C68=O.N67
|
C#CCCN=C(NCCc1cccnc1C)N1CCC2=C(COC2=O)C1
|
C#CCCN=CNCCccccnc6C))))))))))NCCC=CCOC5=O))))C6
|
[C][#C][C][C][N][=C][Branch1][=N][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][C][C][C][=C][Branch1][#Branch1][C][O][C][Ring1][Branch1][=O][C][Ring1][#Branch2]
|
C#CCCN=C(N3)N1CCC2=C(COC2=O)C1.c14cccnc1C.C3C4
|
CCSCc1cc(C(=O)N2C[C@H](C3CC3)[C@H](NC(=O)c3cc(F)c[nH]3)C2)no1
|
CCSCcccC=O)NC[C@H]CCC3)))[C@H]NC=O)cccF)c[nH]5)))))))C5))))))no5
|
[C][C][S][C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][NH1][Ring1][=Branch1][C][Ring1][P][=N][O][Ring2][Ring1][Branch2]
|
N14C[C@@H]8[C@@H](C2CC2)C1.c1%11cc9no1.c1%10cc(F)c[nH]1.C49=O.C5%10=O.CC6.S67.C7%11.N58
|
CN1[C@H](COC(=O)[C@@H]2C[C@H]2c2ccc(NC(=O)OC(C)(C)C)nc2)CCS1(=O)=O
|
CN[C@H]COC=O)[C@@H]C[C@H]3ccccNC=O)OCC)C)C)))))nc6))))))))))))CCS5=O)=O
|
[C][N][C@H1][Branch2][Ring2][Ring2][C][O][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][=C][C][C][S][Ring2][Ring1][#Branch2][=Branch1][C][=O][=O]
|
CN1[C@H]%10CCS1(=O)=O.c1%11ccc8nc1.[C@@H]19C[C@H]1%11.C7(C)(C)C.C39=O.C45=O.C6%10.O36.N58.O47
|
CC1=NO[C@H](CC(=O)N(C)Cc2cn(-c3ncccc3C)nn2)C1
|
CC=NO[C@H]CC=O)NC)Cccn-cncccc6C)))))))nn5)))))))))C5
|
[C][C][=N][O][C@H1][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][=N][Ring1][N][C][Ring2][Ring1][#Branch1]
|
c18ncccc1C.CC1=NO[C@H]6C1.c17cn8nn1.C6C4=O.N45C.C57
|
Cc1cc(CCC(=O)N2CC[C@@H](NC(=O)Cc3ccc(F)cn3)C[C@@H]2C)on1
|
CcccCCC=O)NCC[C@@H]NC=O)CccccF)cn6)))))))))C[C@@H]6C))))))))))on5
|
[C][C][C][=C][Branch2][Ring2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][C][C@@H1][Ring1][P][C][O][N][=Ring2][Ring1][O]
|
N14CC[C@@H]6C[C@@H]1C.c18ccc(F)cn1.Cc1cc7on1.C7CC4=O.C5(=O)C8.N56
|
CC[C@H](C[C@@H](C)O)NC(=O)Nc1cccc(CSC2CCOCC2)c1
|
CC[C@H]C[C@@H]C)O)))NC=O)NcccccCSCCCOCC6))))))))c6
|
[C][C][C@H1][Branch1][#Branch1][C][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][S][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][=C]
|
CC[C@@H]5C[C@@H](C)O.c17cccc8c1.C19CCOCC1.C34=O.N35.N47.C68.S69
|
C=C1C[C@@H](C(=O)N=c2cc(C(=O)OC)[nH][nH]2)N(C(=O)c2cc(Cl)nc(Cl)c2F)C1
|
C=CC[C@@H]C=O)N=cccC=O)OC)))[nH][nH]5)))))))NC=O)cccCl)ncCl)c6F))))))))C5
|
[C][=C][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][NH1][NH1][Ring1][=Branch2][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][F][C][Ring2][Ring1][N]
|
C5(=O)N=c1cc6[nH][nH]1.c17cc(Cl)nc(Cl)c1F.C=C1C[C@@H]5N4C1.C36=O.C47=O.O3C
|
C=CC[C@@H](NC(=O)N1Cc2cccc(Br)c2C[C@@H]1C)c1ccccc1
|
C=CC[C@@H]NC=O)NCcccccBr)c6C[C@@H]%10C)))))))))))))cccccc6
|
[C][=C][C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][C@@H1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
N14Cc2cccc(Br)c2C[C@@H]1C.c16ccccc1.C=CC[C@@H]56.C34=O.N35
|
CC[C@H](Cc1ccc(O)cc1)NC(=O)N[C@@H](C)c1cocn1
|
CC[C@H]CccccO)cc6)))))))NC=O)N[C@@H]C)ccocn5
|
[C][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][O][C][=N][Ring1][Branch1]
|
c17ccc(O)cc1.CC[C@@H]4C7.c16cocn1.C23=O.[C@@H]56C.N24.N35
|
C[C@H]1C[C@H](C(=O)N2CC(C)(NC(=O)c3cnoc3)C2)CCS1(=O)=O
|
C[C@H]C[C@H]C=O)NCCC)NC=O)ccnoc5)))))))C4)))))CCS6=O)=O
|
[C][C@H1][C][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=N][O][C][=Ring1][Branch1][C][Ring1][=N][C][C][S][Ring2][Ring1][Branch1][=Branch1][C][=O][=O]
|
C[C@H]1C[C@H]7CCS1(=O)=O.N14CC6(C)C1.c18cnoc1.C47=O.C58=O.N56
|
C=C[C@@H](O)Cc1cn(CCCC(=O)N[C@@H]2CCCC3(CCC3)C2)nn1
|
C=C[C@@H]O)CccnCCCC=O)N[C@@H]CCCCCCC4)))C6)))))))))))nn5
|
[C][=C][C@@H1][Branch1][C][O][C][C][=C][N][Branch2][Ring1][Branch2][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][N][=N][Ring2][Ring1][Ring2]
|
[C@@H]15CCCC2(CCC2)C1.c17cn6nn1.C6CCC4=O.C=C[C@@H](O)C7.N45
|
COCCCC(=O)NC[C@H]1CN(C(=O)[C@]2(OC)CCC23CCC3)CC12CC2
|
COCCCC=O)NC[C@H]CNC=O)[C@]OC))CCC4CCC4))))))))CC5CC3
|
[C][O][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@][Branch1][Ring1][O][C][C][C][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C][C][Ring1][S][C][C][Ring1][Ring1]
|
[C@H]1%10CN5CC12CC2.[C@]179CCC12CCC2.C6CCC4=O.C59=O.CO6.N48.C8%10.O7C
|
CCCCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1CCOC[C@@H]1F
|
CCCCC=O)NC[C@H]O)C[C@H]5C=O)N[C@H]CCOC[C@@H]6F
|
[C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][O][C][C@@H1][Ring1][=Branch1][F]
|
N12C[C@H](O)C[C@H]15.[C@H]14CCOC[C@@H]1F.CCCCC2=O.C35=O.N34
|
CN(C)CCCCNS(=O)(=O)c1cccnc1N1CCOC(C)(C)CC1
|
CNC)CCCCNS=O)=O)ccccnc6NCCOCC)C)CC7
|
[C][N][Branch1][C][C][C][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
|
S4(=O)(=O)c1cccnc15.N15CCOC(C)(C)CC1.C2CCC3.CN2C.N34
|
O=C(NC[C@@H]1COCCN(C(=O)CCC2CC2)C1)c1ccc([N+](=O)[O-])[nH]1
|
O=CNC[C@@H]COCCNC=O)CCCCC3))))))C7)))))))))cccc[N+]=O)[O-]))[nH]5
|
[O][=C][Branch2][Ring1][=Branch2][N][C][C@@H1][C][O][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Ring1][C][Ring1][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][Ring1][Branch2]
|
[C@@H]17COCCN4C1.c16ccc([N+](=O)[O-])[nH]1.C4(=O)CC8.O=C36.C18CC1.N35.C57
|
CCOC(=O)C=CC(=O)NC[C@@](C)(CNC(=O)c1c(C)cnn1C)OC
|
CCOC=O)C=CC=O)NC[C@@]C)CNC=O)ccC)cnn5C)))))))))OC
|
[C][C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][N][Ring1][=Branch1][C][O][C]
|
c19c(C)cnn1C.C7[C@@]6(C)C8.C2(=O)C=%10.C=%10C3=O.C49=O.CC5.O25.N37.N48.O6C
|
CC(C)n1ccc(CC(=O)N2C[C@H]3CC[C@H]2CN3C(=O)C2(O)CCSCC2)n1
|
CCC)ncccCC=O)NC[C@H]CC[C@H]6CN6C=O)CO)CCSCC6)))))))))))))))))n5
|
[C][C][Branch1][C][C][N][C][=C][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][O][C][C][S][C][C][Ring1][#Branch1][=N][Ring2][Ring1][=Branch2]
|
N14C[C@H]2CC[C@H]1CN25.C16(O)CCSCC1.n17ccc8n1.C8C4=O.CC7C.C56=O
|
CC1(CC(=O)N2CCCC[C@H]2CCC(=O)N2CCOC(C)(C)C2)CCOCC1
|
CCCC=O)NCCCC[C@H]6CCC=O)NCCOCC)C)C6)))))))))))))))))CCOCC6
|
[C][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][C][O][C][C][Ring2][Ring1][O]
|
N14CCOC(C)(C)C1.CC16CCOCC1.N13CCCC[C@H]15.C5CC4=O.C6C3=O
|
O=C(/C=C/C1CC1)N1C[C@H]2C[C@H]1C[C@@H]2N1CCC[C@@H](F)CC1
|
O=C/C=C/CCC3)))))NC[C@H]C[C@H]5C[C@@H]5NCCC[C@@H]F)CC7
|
[O][=C][Branch1][Branch2][/C][=C][/C][C][C][Ring1][Ring1][N][C][C@H1][C][C@H1][Ring1][Branch1][C][C@@H1][Ring1][Branch1][N][C][C][C][C@@H1][Branch1][C][F][C][C][Ring1][Branch2]
|
N13C[C@H]2C[C@H]1C[C@@H]24.N14CCC[C@@H](F)CC1.O=C3C=5.C=5C1CC1
|
CC(=O)OC1(C(=O)N2C[C@H](N=[N+]=[N-])[C@H](NC(=O)c3ccc(F)cc3F)C2)CC1
|
CC=O)OCC=O)NC[C@H]N=[N+]=[N-])))[C@H]NC=O)ccccF)cc6F)))))))))C5))))))CC3
|
[C][C][=Branch1][C][=O][O][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring2][N][=N+1][=N-1][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][Branch2]
|
N15C[C@@H]8[C@@H](N=[N+]=[N-])C1.c1%10ccc(F)cc1F.C179CC1.CC4=O.C59=O.C6%10=O.O47.N68
|
C[C@@H]1CN(C(=O)C=C2CCCCC2)C[C@@]2(CCN(C(=O)CN(C)C3CCC3)C2)O1
|
C[C@@H]CNC=O)C=CCCCCC6))))))))C[C@@]CCNC=O)CNC)CCCC4)))))))C5))))O6
|
[C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][=Branch1][C][C@@][Branch2][Ring1][Branch2][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][Ring1][=C][O][Ring2][Ring1][N]
|
C[C@@H]1CN4C[C@@]2(CCN5C2)O1.C1=8CCCCC1.C4(=O)C=8.C5(=O)C6.C17CCC1.N67C
|
C[C@@H](C(=O)N[C@@H]1CCCC12CCOCC2)c1cc(F)c(Cl)cc1Cl
|
C[C@@H]C=O)N[C@@H]CCCC5CCOCC6))))))))))))cccF)cCl)cc6Cl
|
[C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Ring1][Branch1][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][F][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl]
|
[C@@H]14CCCC12CCOCC2.c15cc(F)c(Cl)cc1Cl.C[C@H]5C3=O.N34
|
C/C=C/[C@H]1CN(C(=O)C[C@H](C)C(C)C)C[C@@H]1C(=O)N1C[C@@]2(CO)C[C@@]2(CO)C1
|
C/C=C/[C@H]CNC=O)C[C@H]C)CC)C)))))C[C@@H]5C=O)NC[C@@]CO))C[C@@]3CO))C6
|
[C][/C][=C][/C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][Branch1][C][C][C][C][C@@H1][Ring1][=N][C][=Branch1][C][=O][N][C][C@@][Branch1][Ring1][C][O][C][C@@][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][#Branch2]
|
C=6[C@H]1CN3C[C@@H]15.C3(=O)C[C@H](C)C(C)C.N14C[C@@]27C[C@@]28C1.C45=O.CC=6.C7O.C8O
|
CO[C@H](CNC(=O)c1ccc2c(c1)OCCNC2=O)CNC(=O)[C@H]1CCO1
|
CO[C@H]CNC=O)cccccc6)OCCNC7=O))))))))))))))CNC=O)[C@H]CCO4
|
[C][O][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][N][C][Ring1][Branch2][=O][C][N][C][=Branch1][C][=O][C@H1][C][C][O][Ring1][Ring2]
|
c19ccc2c(c1)OCCNC2=O.[C@@H]5(C6)C7.[C@H]18CCO1.C39=O.C48=O.CO5.N36.N47
|
CC1(C)OC(=O)N[C@H]1C(=O)N1C[C@H]2CN(C(=O)CCNC(=O)C3CCC3)C[C@H]2C1
|
CCC)OC=O)N[C@H]5C=O)NC[C@H]CNC=O)CCNC=O)CCCC4)))))))))C[C@H]5C8
|
[C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
N14C[C@@H]2CN5C[C@@H]2C1.CC1(C)OC(=O)N[C@H]18.C5(=O)CC7.C19CCC1.C48=O.C69=O.N67
|
Cc1cc(C=CC(=O)N2CC[C@](C)(CC(=O)NOC[C@H]3C[C@H]4C=C[C@@H]3C4)C2)on1
|
CcccC=CC=O)NCC[C@]C)CC=O)NOC[C@H]C[C@H]C=C[C@@H]6C5))))))))))))C5))))))))on5
|
[C][C][C][=C][Branch2][Ring2][Branch2][C][=C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][O][C][C@H1][C][C@H1][C][=C][C@@H1][Ring1][=Branch1][C][Ring1][Branch1][C][Ring2][Ring1][Ring1][O][N][=Ring2][Ring1][N]
|
Cc1cc(C=7)on1.N15CC[C@@]8(C)C1.[C@H]19C[C@H]2C=C[C@@H]1C2.C8C(=O)NO6.C=7C5=O.C69
|
C[C@@H](C(=O)N1CCCC(C)(C)[C@@H]1CNC(=O)CCC[N+](=O)[O-])n1cncn1
|
C[C@@H]C=O)NCCCCC)C)[C@@H]6CNC=O)CCC[N+]=O)[O-])))))))))))))))ncncn5
|
[C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][C][N+1][=Branch1][C][=O][O-1][N][C][=N][C][=N][Ring1][Branch1]
|
N12CCCC(C)(C)[C@@H]16.C3(=O)CCC[N+](=O)[O-].C[C@H]5C2=O.n15cncn1.C46.N34
|
CN(CCN(C)C(=O)C12CC(C1)C(C)(C)O2)C(=O)c1cc(F)cc2c1NCCC2
|
CNCCNC)C=O)CCCC4)CC)C)O5)))))))))C=O)cccF)ccc6NCCC6
|
[C][N][Branch2][Ring1][=N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][O][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][N][C][C][C][Ring1][=Branch1]
|
c18cc(F)cc2c1NCCC2.C127CC(C1)C(C)(C)O2.CN45.C5C6.N36C.C37=O.C48=O
|
C=C[C@H](NC(=O)NC1CCN(CC(=O)N2CCOCC2)CC1)C1CCC1
|
C=C[C@H]NC=O)NCCCNCC=O)NCCOCC6))))))))CC6)))))))))CCCC4
|
[C][=C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][C][Ring1][Ring2]
|
C18CCN7CC1.N15CCOCC1.C=C[C@H]69.C7C5=O.C19CCC1.C34=O.N36.N48
|
CC[C@H]1CN(C(=O)CN2CC[S+]([O-])CC2)CC[C@H]1NC(=O)CCCC1CC1
|
CC[C@H]CNC=O)CNCC[S+][O-])CC6))))))))CC[C@H]6NC=O)CCCCCC3
|
[C][C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][S+1][Branch1][C][O-1][C][C][Ring1][#Branch1][C][C][C@H1][Ring1][S][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1]
|
[C@H]17CN3CC[C@H]16.N15CC[S+]([O-])CC1.C4(=O)CCC8.C3(=O)C5.C18CC1.CC7.N46
|
O=C1C[C@H](C(=O)Nc2ccccc2[C@@H](O)C(F)(F)F)Oc2ccc(Cl)cc21
|
O=CC[C@H]C=O)Ncccccc6[C@@H]O)CF)F)F)))))))))))OccccCl)cc6%10
|
[O][=C][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch2]
|
O=C1C[C@H]5Oc2ccc(Cl)cc21.c14ccccc16.[C@H]6(O)C(F)(F)F.C35=O.N34
|
CC1(F)CC(C(=O)N[C@H]2CN(C(=O)Cc3ccncc3Cl)CCC23CCC3)C1
|
CCF)CCC=O)N[C@H]CNC=O)Ccccncc6Cl)))))))))CCC6CCC4)))))))))))C4
|
[C][C][Branch1][C][F][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][C][C][Ring1][S][C][C][C][Ring1][Ring2][C][Ring2][Ring1][O]
|
[C@H]16CN5CCC12CCC2.c18ccncc1Cl.CC1(F)CC7C1.C5(=O)C8.C47=O.N46
|
CN(C[C@@H](O)CNC(=O)c1cnn(C2CC2)c1)C(=O)COC1CC=CC1
|
CNC[C@@H]O)CNC=O)ccnnCCC3)))c5))))))))))C=O)COCCC=CC5
|
[C][N][Branch2][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][=C][C][Ring1][Branch1]
|
c19cnn%10c1.C7[C@@H](O)C8.C16CC=CC1.C4(=O)C5.CN47.C39=O.C1%10CC1.N38.O56
|
CC(C)[C@H](C)CN(C)CCC(=O)N[C@H](CNC(=O)Cc1ccco1)C(C)C
|
CCC)[C@H]C)CNC)CCC=O)N[C@H]CNC=O)Ccccco5)))))))))CC)C
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][C]
|
CC(C)[C@H](C)C4.[C@@H]6(C7)C(C)C.C5CC2=O.c18ccco1.C3(=O)C8.N45C.N26.N37
|
CCc1cccc(CC)c1NC(=O)C(=O)N[C@@H]1CN[C@@H]2C[C@H]21
|
CCcccccCC))c6NC=O)C=O)N[C@@H]CN[C@@H]C[C@H]36
|
[C][C][C][=C][C][=C][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][N][C@@H1][C][C@H1][Ring1][Ring1][Ring1][=Branch1]
|
c17cccc8c15.[C@@H]16CN[C@@H]2C[C@@H]12.C3(=O)C4=O.CC7.C8C.N35.N46
|
COc1ccc2c(C(=O)NC[C@H](O)CNC(=O)C[C@@]3(O)CCCOC3)cnn2c1
|
COcccccC=O)NC[C@H]O)CNC=O)C[C@@]O)CCCOC6))))))))))))))cnn5c9
|
[C][O][C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C@@][Branch1][C][O][C][C][C][O][C][Ring1][#Branch1][C][=N][N][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][O]
|
c16ccc2c9cnn2c1.[C@]1%10(O)CCCOC1.C7[C@H](O)C8.C5(=O)C%10.C49=O.CO6.N47.N58
|
CC1=NS(=O)(=O)NC=C1C(=O)NC[C@]1(C)CCCN(C(=O)Cn2cnc(=N)[nH]2)C1
|
CC=NS=O)=O)NC=C6C=O)NC[C@]C)CCCNC=O)Cncnc=N)[nH]5)))))))C6
|
[C][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][N][C][=N][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][Ring1][S]
|
CC1=NS(=O)(=O)NC=C1C3=O.[C@@]17(C)CCCN4C1.n16cnc(=N)[nH]1.C4(=O)C6.N35.C57
|
Cn1ccc(OCC(=O)NC[C@@]2(NC(=O)Cc3ccccc3F)CCOC2)n1
|
CncccOCC=O)NC[C@@]NC=O)Ccccccc6F))))))))))CCOC5))))))))))n5
|
[C][N][C][=C][C][Branch2][Ring1][P][O][C][C][=Branch1][C][=O][N][C][C@@][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][C][O][C][Ring1][S][=N][Ring2][Ring1][O]
|
c1%11ccccc1F.Cn1ccc7n1.[C@@]19%10CCOC1.C6C4=O.C5(=O)C%11.O67.N48.C8%10.N59
|
Cc1c(Cl)cnn1CC(=O)NC/C=C\CNC(=O)CCc1cnc(O)[nH]1
|
CccCl)cnn5CC=O)NC/C=C\CNC=O)CCccncO)[nH]5
|
[C][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C][C][C][=C][N][=C][Branch1][C][O][NH1][Ring1][=Branch1]
|
Cc1c(Cl)cnn17.c18cnc(O)[nH]1.C3(=O)CC8.C7C2=O.C4C=6.C=6C5.N24.N35
|
Cc1cscc1C(=O)N[C@@H](C(=O)NCC[C@H]1CC=CCC1)C1(C)CC1
|
Cccscc5C=O)N[C@@H]C=O)NCC[C@H]CC=CCC6))))))))))CC)CC3
|
[C][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C][C][C@H1][C][C][=C][C][C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][Ring2]
|
Cc1cscc16.[C@H]18CC=CCC1.[C@@H]47C3=O.C17(C)CC1.C26=O.C5C8.N24.N35
|
CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(Br)cc1)C(=O)N1CC[C@H]2[C@H](O)C[C@H]21
|
CCC)C)OC=O)N[C@@]C)CccccBr)cc6)))))))C=O)NCC[C@H][C@H]O)C[C@H]47
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][C@H1][Branch1][C][O][C][C@H1][Ring1][Branch1][Ring1][Branch2]
|
N15CC[C@H]2[C@H](O)C[C@H]21.[C@@]7(C)(C8)C5=O.c18ccc(Br)cc1.CC6(C)C.C34=O.O36.N47
|
CCn1c(C(=O)N2C[C@H](C)C[C@@H](NC(=O)c3csc(O)n3)C2)cc2ccccc21
|
CCncC=O)NC[C@H]C)C[C@@H]NC=O)ccscO)n5)))))))C6)))))))ccccccc69
|
[C][C][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][O][=N][Ring1][=Branch1][C][Ring1][S][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][O]
|
n19c7cc2ccccc21.N14C[C@H]6C[C@@H](C)C1.c18csc(O)n1.C47=O.C58=O.CC9.N56
|
C=C1CC(CC(=O)N[C@@H]2CN(C(=O)C(CC)(CC)CC(=O)OC)C[C@@H]2N=[N+]=[N-])C1
|
C=CCCCC=O)N[C@@H]CNC=O)CCC))CC))CC=O)OC))))))C[C@@H]5N=[N+]=[N-])))))))))))C4
|
[C][=C][C][C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][O][C][C][C@@H1][Ring1][P][N][=N+1][=N-1][C][Ring2][Ring1][N]
|
C5(=O)C(CC)(CC)CC3=O.[C@@H]16CN5C[C@@H]1N=[N+]=[N-].C=C1CC7C1.C7C4=O.N46.O3C
|
CC(C)CCC[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)c1cc(C(N)=O)co1
|
CCC)CCC[C@@H]C)NC=O)[C@@H]CCCN5C=O)cccCN)=O))co5
|
[C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][O][Ring1][Branch2]
|
CC(C)CCC[C@H]4C.[C@@H]15CCCN13.c16cc7co1.C25=O.C36=O.C7(N)=O.N24
|
CCC(C)(C)n1nnnc1[C@]1(NCc2cocn2)C[C@H]2C[C@H]1CC21CC1
|
CCCC)C)nnnnc5[C@]NCccocn5)))))))C[C@H]C[C@H]5CC5CC3
|
[C][C][C][Branch1][C][C][Branch1][C][C][N][N][=N][N][=C][Ring1][Branch1][C@][Branch1][#Branch2][N][C][C][=C][O][C][=N][Ring1][Branch1][C][C@H1][C][C@H1][Ring1][N][C][C][Ring1][Branch1][C][C][Ring1][Ring1]
|
[C@]137C[C@H]2C[C@H]1CC21CC1.n15nnnc17.CCC5(C)C.c16cocn1.N34.C46
|
Cc1c(Br)noc1C(=O)N1CCCC[C@H]1CCN(C)C(=O)[C@@H]1CCSC1
|
CccBr)noc5C=O)NCCCC[C@H]6CCNC)C=O)[C@@H]CCSC5
|
[C][C][C][Branch1][C][Br][=N][O][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][S][C][Ring1][Branch1]
|
Cc1c(Br)noc15.N12CCCC[C@H]17.[C@@H]16CCSC1.C25=O.C7C4.N34C.C36=O
|
C[C@H](CCCNC(=O)c1n[nH]cc1Cl)NC(=O)[C@@H](O)C1CCCC1
|
C[C@H]CCCNC=O)cn[nH]cc5Cl)))))))))))NC=O)[C@@H]O)CCCCC5
|
[C][C@H1][Branch1][P][C][C][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Cl][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][C][C][C][Ring1][Branch1]
|
C[C@@H]4CCC5.c16n[nH]cc1Cl.C3(=O)[C@H]7O.C17CCCC1.C26=O.N25.N34
|
CCn1nnc(C)c1C(=O)NCC1(CCNC(=O)c2sc(C)cc2Cl)CC1
|
CCnnncC)c5C=O)NCCCCNC=O)cscC)cc5Cl))))))))))CC3
|
[C][C][N][N][=N][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][Cl][C][C][Ring1][#C]
|
n19nnc(C)c17.c18sc(C)cc1Cl.C1%10%11CC1.C37=O.C%11C6.C48=O.CC9.N35.C5%10.N46
|
Cc1ccc(C(=O)N2CC[C@]3(CC[C@H](NC(=O)[C@H](C)CN(C)C)C3)C2)o1
|
CccccC=O)NCC[C@]CC[C@H]NC=O)[C@H]C)CNC)C))))))C5))))C5))))))o5
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch2][Ring1][Branch2][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][C][Ring1][=C][C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch2]
|
N14CC[C@]2(CC[C@H]7C2)C1.Cc1ccc8o1.C5(=O)[C@H](C)C6.C48=O.N6(C)C.N57
|
CCC(=O)N[C@H](C)C(=O)NCC1(F)CN(C(=O)[C@H](F)Oc2ccc(Cl)c(F)c2)C1
|
CCC=O)N[C@H]C)C=O)NCCF)CNC=O)[C@H]F)OccccCl)cF)c6)))))))))C4
|
[C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C@H1][Branch1][C][F][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C]
|
c17ccc(Cl)c(F)c1.C1%10(F)CN5C1.[C@@H]8(C)C4=O.C5(=O)[C@@H]6F.CCC3=O.N38.N49.C9%10.O67
|
COCC1(C(=O)N2CC[C@H](N(C)c3ncnc(Cl)c3C#N)C2)CC=CC1
|
COCCC=O)NCC[C@H]NC)cncncCl)c6C#N)))))))))C5))))))CC=CC5
|
[C][O][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][N][Branch1][C][C][C][=N][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][#N][C][Ring1][S][C][C][=C][C][Ring2][Ring1][#Branch1]
|
c16ncnc(Cl)c1C#N.C189CC=CC1.N14CC[C@H]7C1.C48=O.N67C.CO5.C59
|
Cc1cc(C)c(C(=O)NC2(CO)CN(Cc3cnn(C)c3)C2)cc1Br
|
CcccC)cC=O)NCCO))CNCccnnC)c5))))))C4))))))cc6Br
|
[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][Br]
|
Cc1cc(C)c7cc1Br.C158CN6C1.c19cnn(C)c1.C47=O.N45.C8O.C69
|
COCCOc1cc(C(=O)N2CC(O)(CNC(=O)c3sc(C)cc3Cl)C2)ccn1
|
COCCOcccC=O)NCCO)CNC=O)cscC)cc5Cl)))))))))C4)))))ccn6
|
[C][O][C][C][O][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][=C][C][=Ring1][=Branch1][Cl][C][Ring1][S][=C][C][=N][Ring2][Ring1][Branch2]
|
c18cc%11ccn1.c1%10sc(C)cc1Cl.N14CC%12(O)C1.C6C7.C4%11=O.C5%10=O.CO6.O78.C9%12.N59
|
Fc1ccc([C@H](Cc2ccc(Cl)cc2)NC[C@H]2C[C@H]3CC[C@H]2NC3)cc1
|
Fcccc[C@H]CccccCl)cc6)))))))NC[C@H]C[C@H]CC[C@H]6NC6)))))))))))cc6
|
[F][C][=C][C][=C][Branch2][Ring1][=C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2]
|
[C@H]16C[C@H]2CC[C@H]1NC2.Fc1ccc7cc1.c18ccc(Cl)cc1.[C@@H]47C8.N45.C56
|
CCN(CCNC(=O)[C@H](O)C1CC1)C(=O)CCCCc1ccc(OC)cc1
|
CCNCCNC=O)[C@H]O)CCC3))))))))C=O)CCCCccccOC))cc6
|
[C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
C3(=O)CCCC9.c19ccc4cc1.C2(=O)[C@@H]8O.N356.C6C7.C18CC1.CC5.N27.O4C
|
CCCC=C[C@@H](O)C(=O)N(C)[C@H]1CCCCN(C(=O)c2cnccc2C)C1
|
CCCC=C[C@@H]O)C=O)NC)[C@H]CCCCNC=O)ccnccc6C))))))))C7
|
[C][C][C][C][=C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]
|
[C@H]15CCCCN4C1.c16cnccc1C.C=7[C@@H](O)C3=O.CCCC=7.N35C.C46=O
|
O=C(c1nnn2c1CCC2)N1CCC[C@H]1CNC(=O)C1(c2ccc(Cl)nc2)CC1
|
O=Ccnnnc5CCC5))))))))NCCC[C@H]5CNC=O)CccccCl)nc6))))))CC3
|
[O][=C][Branch1][=N][C][N][=N][N][C][=Ring1][Branch1][C][C][C][Ring1][Branch1][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C][Ring1][#Branch2]
|
c16nnn2c1CCC2.c19ccc(Cl)nc1.N13CCC[C@H]18.C179CC1.O=C36.C47=O.C58.N45
|
COCCCOCCC(=O)N1CCOC[C@H]1CNC(=O)Cc1ccc(F)cc1Cl
|
COCCCOCCC=O)NCCOC[C@H]6CNC=O)CccccF)cc6Cl
|
[C][O][C][C][C][O][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl]
|
c19ccc(F)cc1Cl.N12CCOC[C@H]18.C6CC2=O.C4CC5.C3(=O)C9.CO4.O56.C78.N37
|
C[C@H](O)c1ccc(C(=O)N[C@@]2(CO)CCN(C(=O)C(F)(F)C(F)F)C2)cc1
|
C[C@H]O)ccccC=O)N[C@@]CO))CCNC=O)CF)F)CF)F))))C5)))))))cc6
|
[C][C@H1][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@][Branch1][Ring1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][Ring1][#C][C][=C][Ring2][Ring1][Branch2]
|
C4(=O)C(F)(F)C(F)F.c18ccc6cc1.[C@]157CCN4C1.C[C@@H]8O.C36=O.N35.C7O
|
CN(C(=O)C1=COCCC1)[C@H]1[C@@H]2CN(C(=O)c3ncc(C#N)cc3Cl)C[C@@H]21
|
CNC=O)C=COCCC6)))))))[C@H][C@@H]CNC=O)cnccC#N))cc6Cl))))))))C[C@@H]56
|
[C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][O][C][C][C][Ring1][=Branch1][C@H1][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Cl][C][C@@H1][Ring1][S][Ring1][P]
|
c17ncc(C#N)cc1Cl.C4(=O)C1=COCCC1.[C@@H]16[C@H]2CN5C[C@@H]12.CN46.C57=O
|
C[C@@H]1CCC[C@H]1C(=O)N1CC2(CCC(NC(=O)C3CC=CC3)CC2)C1
|
C[C@@H]CCC[C@H]5C=O)NCCCCCNC=O)CCC=CC5)))))))CC6)))))C4
|
[C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][C][Ring1][=C][C][Ring1][P]
|
N14CC2(CCC6CC2)C1.C[C@@H]1CCC[C@H]17.C18CC=CC1.C47=O.C58=O.N56
|
C=CC1(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)COC2CCC2)CCCC1
|
C=CCNC=O)[C@@H]C[C@@H]O)CN5C=O)COCCCC4))))))))))))))CCCC5
|
[C][=C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][C][C][C][Ring1][Ring2][C][C][C][C][Ring2][Ring1][=Branch1]
|
C=CC17CCCC1.[C@@H]18C[C@@H](O)CN14.C4(=O)C5.C16CCC1.C38=O.N37.O56
|
Cn1cc(C(=O)C=CC(=O)NCCC2CN(C(=O)c3nc(=O)n(C)[nH]3)C2)cn1
|
CnccC=O)C=CC=O)NCCCCNC=O)cnc=O)nC)[nH]5))))))C4)))))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=Branch1][C][=O][N][Branch1][C][C][NH1][Ring1][#Branch1][C][Ring1][=N][C][=N][Ring2][Ring1][O]
|
c17nc(=O)n(C)[nH]1.Cn1cc8cn1.C1%10CN5C1.C8(=O)C=9.C=9C4=O.C6C%10.C57=O.N46
|
C#CCN(C)C/C=C/C(=O)N1CC(OCCNC(=O)[C@H]2CC[C@H](CC)CC2)C1
|
C#CCNC)C/C=C/C=O)NCCOCCNC=O)[C@H]CC[C@H]CC))CC6)))))))))))C4
|
[C][#C][C][N][Branch1][C][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][O][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][Ring2][Ring1][C]
|
[C@H]1%11CC[C@H]4CC1.N13CC7C1.C=%12C3=O.C#CC8.N89C.C9C=%12.C6C%10.C5%11=O.O67.N5%10.C4C
|
CP(C)(=O)CCNC(=O)[C@@H]1CC[C@H](CNC(=O)Cn2ncnn2)O1
|
CPC)=O)CCNC=O)[C@@H]CC[C@H]CNC=O)Cnncnn5)))))))))O5
|
[C][P][Branch1][C][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1][O][Ring1][#C]
|
CP(C)(=O)CC5.[C@@H]17CC[C@H]9O1.n18ncnn1.C4(=O)C8.C37=O.N35.C69.N46
|
CCO[C@@H](C)C(=O)N1CCC[C@](CC)(NC(=O)c2n[nH]c(CC)c2Br)C1
|
CCO[C@@H]C)C=O)NCCC[C@]CC))NC=O)cn[nH]cCC))c5Br))))))))C6
|
[C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][Ring1][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][Ring1][C][C][=C][Ring1][#Branch1][Br][C][Ring2][Ring1][Ring1]
|
N13CCC[C@@]7%10C1.c18n[nH]c9c1Br.[C@H]6(C)C3=O.C48=O.CC5.O56.C%10C.N47.C9C
|
CO[C@H]1C[C@@](CO)(NC(=O)[C@@H](NC(=O)c2[nH]ccc(=O)c2C)[C@H]2CCCO2)C1
|
CO[C@H]C[C@@]CO))NC=O)[C@@H]NC=O)c[nH]ccc=O)c6C)))))))))[C@H]CCCO5))))))))C4
|
[C][O][C@H1][C][C@@][Branch1][Ring1][C][O][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][C@H1][C][C][C][O][Ring1][Branch1][C][Ring2][Ring1][#Branch2]
|
c18[nH]ccc(=O)c1C.[C@H]15C[C@]6%10C1.C3(=O)[C@@H]79.[C@H]19CCCO1.C48=O.CO5.C%10O.N36.N47
|
CC(C)(CC(=O)NC1CC2(CCCCC2)C1)NC(=O)c1ccc(O)nc1
|
CCC)CC=O)NCCCCCCCC6)))))C4)))))))NC=O)ccccO)nc6
|
[C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=C][Ring1][#Branch1]
|
C16CC2(CCCCC2)C1.CC5(C)CC3=O.c17ccc(O)nc1.C47=O.N36.N45
|
CCOc1ccc(OCCCC(=O)N[C@H]2CCN(C(=O)[C@@H](C)C(F)F)[C@H]2C)cc1
|
CCOccccOCCCC=O)N[C@H]CCNC=O)[C@@H]C)CF)F))))[C@H]5C))))))))))))cc6
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][O][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Branch1][C][F][F][C@H1][Ring1][N][C][C][=C][Ring2][Ring1][#Branch2]
|
c17ccc8cc1.[C@H]19CCN4[C@H]1C.C4(=O)[C@@H](C)C(F)F.C6CCC3=O.CC5.O57.O68.N39
|
CCn1nc(C(F)(F)F)cc1C(=O)N[C@H](C)CCNC(=O)c1ccc(COC)[nH]1
|
CCnncCF)F)F))cc5C=O)N[C@H]C)CCNC=O)ccccCOC)))[nH]5
|
[C][C][N][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][NH1][Ring1][Branch2]
|
n1%10nc%11cc18.c19ccc3[nH]1.[C@@H]6(C)CC7.C%11(F)(F)F.C28=O.C49=O.CC%10.N26.N47.C53.O5C
|
COC[C@@](C)(O)CC(=O)N1CCC([C@@H]2CCN(C(=O)CCNC(C)=O)C2)CC1
|
COC[C@@]C)O)CC=O)NCCC[C@@H]CCNC=O)CCNCC)=O))))))C5)))))CC6
|
[C][O][C][C@@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=O][C][Ring1][=N][C][C][Ring2][Ring1][Ring1]
|
N13CCC([C@@H]2CCN4C2)CC1.C6[C@@](C)(O)CC3=O.C4(=O)CC7.C5(C)=O.CO6.N57
|
CC1(C)CCc2cc(C(=O)N[C@H]3CCCN(C(=O)c4c[nH]c(=N)s4)C3)ccc21
|
CCC)CCcccC=O)N[C@H]CCCNC=O)cc[nH]c=N)s5))))))C6))))))))ccc69
|
[C][C][Branch1][C][C][C][C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=N][S][Ring1][=Branch1][C][Ring1][=C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][O]
|
CC1(C)CCc2cc9ccc21.[C@H]17CCCN6C1.c18c[nH]c(=N)s1.C59=O.C68=O.N57
|
COc1cc(C)c(N(C(=O)C(C)(C)NCCC#N)C2CC3(CNC3)C2)cn1
|
COcccC)cNC=O)CC)C)NCCC#N)))))))CCCCNC4)))C4)))))cn6
|
[C][O][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][P][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][C][C][#N][C][C][C][Branch1][=Branch1][C][N][C][Ring1][Ring2][C][Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch2]
|
c15cc(C)c8cn1.C19CC2(CNC2)C1.C4(=O)C6(C)C.C7CC#N.N489.CO5.N67
|
Cc1ccc(CC(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)C24CC(C)(CCO2)C4)C3)c(Cl)c1
|
CccccCC=O)N[C@H]C[C@@H]C[C@H]5NC=O)CCCC)CCO6)))C4)))))C5))))))))))cCl)c6
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][=Branch1][C][C][O][Ring1][#Branch1][C][Ring1][Branch2][C][Ring1][#C][C][Branch1][C][Cl][=C][Ring2][Ring1][N]
|
Cc1ccc9c(Cl)c1.[C@H]17C[C@@H]2C[C@H]1N6C2.C128CC(C)(CCO1)C2.C9C5=O.C68=O.N57
|
CNC(=O)CCC(=O)N1CCN(C(=O)c2cnn(CCO)c2)[C@H](CS(C)(=O)=O)C1
|
CNC=O)CCC=O)NCCNC=O)ccnnCCO)))c5))))))[C@H]CSC)=O)=O)))C6
|
[C][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][C@H1][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring2][Ring1][Branch1]
|
N14CCN5[C@H]8C1.C3(=O)CCC4=O.c16cnn7c1.C8S(C)(=O)=O.C56=O.C7CO.CN3
|
O=C(Cc1cccnc1Br)NC[C@H]1C[C@@H]1NC(=O)C1=CCS(=O)(=O)C1
|
O=CCccccnc6Br))))))))NC[C@H]C[C@@H]3NC=O)C=CCS=O)=O)C5
|
[O][=C][Branch1][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Br][N][C][C@H1][C][C@@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1]
|
C3(=O)C1=CCS(=O)(=O)C1.c17cccnc1Br.O=C2C7.[C@H]16C[C@@H]15.N24.C46.N35
|
COCCC(C)(C)CC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1CC12CC(C)(C)C2
|
COCCCC)C)CC=O)NC[C@H]CCCCN6C=O)[C@@H]CC3CCC)C)C4
|
[C][O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1]
|
C5CC(C)(C)CC3=O.[C@@H]17CC12CC(C)(C)C2.[C@H]18CCCCN14.C47=O.CO5.N36.C68
|
CCO[C@@H](CC(=O)N1CC(CCNC(=O)C2(CS(C)(=O)=O)COC2)C1)C(C)C
|
CCO[C@@H]CC=O)NCCCCNC=O)CCSC)=O)=O)))COC4))))))))C4))))))CC)C
|
[C][C][O][C@@H1][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][Ring1][=Branch2][C][Ring2][Ring1][C][C][Branch1][C][C][C]
|
[C@H]6(CC3=O)C(C)C.N13CC9C1.C18%10COC1.C%10S(C)(=O)=O.C9C7.C48=O.CC5.O56.N47
|
Cc1c(C(=O)NCC(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)oc2ccc(O)cc12
|
CccC=O)NCC=O)N[C@H]CCS=O)=O)C5))))))))))c=O)occccO)cc%106
|
[C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring2][Ring1][#Branch2][Ring1][#Branch1]
|
Cc1c7c(=O)oc2ccc(O)cc12.[C@H]16CCS(=O)(=O)C1.C5C4=O.C37=O.N35.N46
|
C[C@@H](CO)C(=O)N(C)CCCN(C)C(=O)CCCCC1CCCCC1
|
C[C@@H]CO))C=O)NC)CCCNC)C=O)CCCCCCCCCC6
|
[C][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][Ring1][=Branch1]
|
C3(=O)CCCC6.C[C@@H](CO)C2=O.C16CCCCC1.C4CC5.N24C.N35C
|
CC[C@@H]1CN([C@H](C(=O)N[C@H](C)c2ccccc2)c2coc(C)n2)C[C@H](C)S1(=O)=O
|
CC[C@@H]CN[C@H]C=O)N[C@H]C)cccccc6)))))))))ccocC)n5))))))C[C@H]C)S6=O)=O
|
[C][C][C@@H1][C][N][Branch2][Ring1][S][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][O][C][Branch1][C][C][=N][Ring1][=Branch1][C][C@H1][Branch1][C][C][S][Ring2][Ring1][=Branch2][=Branch1][C][=O][=O]
|
[C@@H]16CN4C[C@H](C)S1(=O)=O.c18ccccc1.c17coc(C)n1.[C@H]47C3=O.[C@H]58C.CC6.N35
|
CCOC(=O)C1(CC(=O)NCCCCNC(=O)[C@@H]2CC[C@H](C)O2)CCOCC1
|
CCOC=O)CCC=O)NCCCCNC=O)[C@@H]CC[C@H]C)O5))))))))))))))CCOCC6
|
[C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][C][C][O][Ring1][=Branch1][C][C][O][C][C][Ring2][Ring1][#Branch1]
|
C1%10%11CCOCC1.[C@@H]19CC[C@H](C)O1.C7CCC8.C%11C4=O.C3%10=O.C59=O.CC6.O36.N47.N58
|
CC1=CCS[C@@H]1C(=O)NCC1(O)CC(CNC(=O)Cc2cnoc2)C1
|
CC=CCS[C@@H]5C=O)NCCO)CCCNC=O)Cccnoc5)))))))))C4
|
[C][C][=C][C][S][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][=N][O][C][=Ring1][Branch1][C][Ring1][#C]
|
CC1=CCS[C@@H]17.C18(O)CC9C1.c1%10cnoc1.C4(=O)C%10.C37=O.N35.C58.C69.N46
|
CCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC(=C2CCC2)CC1
|
CCNCcccccc6)OCO5)))))))))C=O)CCCC=CCCC4))))CC6
|
[C][C][N][Branch1][P][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][=Branch1][#Branch1][=C][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch2]
|
c18ccc2c(c1)OCO2.C16CCC=7CC1.C1=7CCC1.N345.C36=O.CC4.C58
|
CC(=CC(=O)NCCC[C@@H](C)NC(=O)c1ccc(CC(C)C)s1)c1cnn(C)c1
|
CC=CC=O)NCCC[C@@H]C)NC=O)ccccCCC)C)))s5))))))))))))))ccnnC)c5
|
[C][C][=Branch2][Ring2][C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][S][Ring1][=Branch2][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
CC=7c1cnn(C)c1.C4CC[C@H]5C.c16ccc8s1.C=7C2=O.C8C(C)C.C36=O.N24.N35
|
CC1(/C=C/C(=O)N2[C@@H]3CC[C@H]2C[C@H](CNC(=O)C2CC(OC4CC4)C2)C3)COC1
|
CC/C=C/C=O)N[C@@H]CC[C@H]5C[C@H]CNC=O)CCCOCCC3))))C4)))))))C7)))))))))))COC4
|
[C][C][Branch2][Ring2][O][/C][=C][/C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][Ring1][Branch2][C][Ring2][Ring1][Ring1][C][O][C][Ring2][Ring1][N]
|
N15[C@@H]2CC[C@H]1C[C@H]%12C2.CC1(C=%11)COC1.C1%10CC7C1.C=%11C5=O.C6%10=O.C18CC1.C9%12.N69.O78
|
CC[C@H]1C[C@](NCc2ccc(Br)c(C)c2)(c2nnnn2Cc2cccs2)CO1
|
CC[C@H]C[C@]NCccccBr)cC)c6))))))))cnnnn5Cccccs5)))))))))))CO5
|
[C][C][C@H1][C][C@][Branch1][P][N][C][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][C][=C][Ring1][Branch2][Branch1][S][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][S][Ring1][Branch1][C][O][Ring2][Ring1][#Branch2]
|
c18ccc(Br)c(C)c1.[C@H]16C[C@]39CO1.c19nnnn15.c17cccs1.CC6.N34.C48.C57
|
C=CCn1cc(CNC(=O)CC[C@H](C)NC(=O)[C@H](SC)C(C)C)nn1
|
C=CCnccCNC=O)CC[C@H]C)NC=O)[C@H]SC))CC)C)))))))))))nn5
|
[C][=C][C][N][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][S][C][C][Branch1][C][C][C][N][=N][Ring2][Ring1][=Branch1]
|
C2(=O)CC[C@@H]5C.C3(=O)[C@H]6C(C)C.n17cc8nn1.C=CC7.C48.N24.N35.S6C
|
C=CC1(C(=O)N2CCN(C)[C@H](C(=O)N(C)C[C@@H]3COCCO3)C2)CCC1
|
C=CCC=O)NCCNC)[C@H]C=O)NC)C[C@@H]COCCO6)))))))))C6)))))))CCC4
|
[C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][Branch2]
|
N14CCN(C)[C@H]7C1.C=CC18CCC1.[C@@H]19COCCO1.C48=O.C57=O.N56C.C69
|
CSCC(=O)NC[C@H]1CCN(C(=O)c2c[nH]c3ccc(Cl)cc3c2=O)C[C@@H]1C
|
CSCC=O)NC[C@H]CCNC=O)cc[nH]ccccCl)cc6c%10=O))))))))))))C[C@@H]6C
|
[C][S][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][C@@H1][Ring2][Ring1][Ring2][C]
|
c18c[nH]c2ccc(Cl)cc2c1=O.[C@H]19CCN5C[C@@H]1C.C7C4=O.C58=O.CS7.N46.C69
|
CC(=CC(=O)N1C[C@@H]2[C@@H](CN(C)C(=O)c3[nH]c(O)nc3C)[C@@H]2C1)c1ccco1
|
CC=CC=O)NC[C@@H][C@@H]CNC)C=O)c[nH]cO)nc5C)))))))))[C@@H]3C6))))))))cccco5
|
[C][C][=Branch2][Ring2][Branch2][=C][C][=Branch1][C][=O][N][C][C@@H1][C@@H1][Branch2][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][NH1][C][Branch1][C][O][=N][C][=Ring1][=Branch1][C][C@@H1][Ring1][#C][C][Ring2][Ring1][C][C][=C][C][=C][O][Ring1][Branch1]
|
CC=8c1ccco1.N14C[C@@H]2[C@@H]9[C@@H]2C1.c17[nH]c(O)nc1C.C=8C4=O.N56C.C57=O.C69
|
C[C@H](CF)N=c1[nH]c(N2CCN(CCCO)CC2)nc2c1COC2
|
C[C@H]CF))N=c[nH]cNCCNCCCO))))CC6))))))ncc6COC5
|
[C][C@H1][Branch1][Ring1][C][F][N][=C][NH1][C][Branch1][#C][N][C][C][N][Branch1][Branch1][C][C][C][O][C][C][Ring1][#Branch2][=N][C][=C][Ring1][S][C][O][C][Ring1][Branch1]
|
C[C@H](CF)N=c1[nH]c4nc2c1COC2.N14CCN3CC1.C3CCO
|
CN(C[C@H]1CN(C(=O)C2(C#N)CCOCC2)CCO1)C(=O)C1(N(C)C)CCCC1
|
CNC[C@H]CNC=O)CC#N))CCOCC6)))))))CCO6)))))))C=O)CNC)C))CCCC5
|
[C][N][Branch2][Ring1][N][C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][O][C][C][Ring1][Branch2][C][C][O][Ring1][S][C][=Branch1][C][=O][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C][C][Ring1][Branch2]
|
C17(C#N)CCOCC1.[C@H]19CN3CCO1.C168CCCC1.CN45.C37=O.C48=O.N6(C)C.C59
|
CNC(=O)NCCC(=O)NC[C@@H]1C[C@H]1NC(=O)c1sccc1S(=O)(=O)N(C)C
|
CNC=O)NCCC=O)NC[C@@H]C[C@H]3NC=O)csccc5S=O)=O)NC)C
|
[C][N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C]
|
c1%11sccc1S9(=O)=O.C7CC5=O.[C@@H]13C[C@H]1%10.C24=O.C6%11=O.N9(C)C.CN2.N47.N58.C83.N6%10
|
CC(C)[C@@H]1CN(C(=O)c2ncnc(O)c2F)CCN1C(=O)CC(C1CC1)C1CC1
|
CCC)[C@@H]CNC=O)cncncO)c6F))))))))CCN6C=O)CCCCC3)))CCC3
|
[C][C][Branch1][C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][F][C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
[C@@H]16CN3CCN14.c15ncnc(O)c1F.C4(=O)CC78.CC6C.C35=O.C17CC1.C18CC1
|
CC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3C[C@@H]2N(Cc2c(F)cc(O)cc2F)C3)c(F)c1
|
CC=O)ccccNC=O)[C@@H][C@@H]C[C@@H]4NCccF)ccO)cc6F))))))))C5))))))))cF)c6
|
[C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C@@H1][C][C@@H1][Ring1][Ring2][N][Branch1][P][C][C][=C][Branch1][C][F][C][=C][Branch1][C][O][C][=C][Ring1][Branch2][F][C][Ring1][#C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch2]
|
c19c(F)cc(O)cc1F.c18ccc6c(F)c1.[C@@H]17[C@@H]2C[C@@H]1N5C2.CC8=O.C47=O.N46.C59
|
COC(=O)[C@H]1C[C@H](n2nccc2CNC[C@@H](CO)Cc2cccnc2)C1
|
COC=O)[C@H]C[C@H]nnccc5CNC[C@@H]CO))Cccccnc6))))))))))))))))C4
|
[C][O][C][=Branch1][C][=O][C@H1][C][C@H1][Branch2][Ring1][=Branch2][N][N][=C][C][=C][Ring1][Branch1][C][N][C][C@@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1]
|
n19nccc17.C5[C@H](C8)CO.c18cccnc1.[C@H]16C[C@H]9C1.C36=O.CO3.C47.N45
|
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