SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C=C[C@H]1OCC[C@@H]1C(=O)NCC1(CO)CCN(C(=O)CCc2cn(C)nn2)CC1
|
C=C[C@H]OCC[C@@H]5C=O)NCCCO))CCNC=O)CCccnC)nn5))))))))CC6
|
[C][=C][C@H1][O][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
C189CCN4CC1.C=C[C@H]1OCC[C@@H]16.c17cn(C)nn1.C4(=O)CC7.C36=O.N35.C58.C9O
|
CCN=c1[nH]cc(C(=O)NC[C@@H](O)CNC(=O)C(F)(F)c2ccc(OC)cc2)s1
|
CCN=c[nH]ccC=O)NC[C@@H]O)CNC=O)CF)F)ccccOC))cc6))))))))))))))s5
|
[C][C][N][=C][NH1][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][#Branch2]
|
CCN=c1[nH]cc8s1.c19ccc5cc1.C4(=O)C9(F)F.C6[C@@H](O)C7.C38=O.N36.N47.O5C
|
CN(C)[C@@H](C(=O)N[C@@H]1COC2(C1)CN(C(=O)CCCNC(=O)C1CC1)C2)C1CC1
|
CNC)[C@@H]C=O)N[C@@H]COCC5)CNC=O)CCCNC=O)CCC3)))))))))C4)))))))))CCC3
|
[C][N][Branch1][C][C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@@H1][C][O][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][S][C][C][C][Ring1][Ring1]
|
[C@@H]18COC2(C1)CN4C2.C4(=O)CCC7.[C@@H]6%10C3=O.CN6C.C59=O.C19CC1.C1%10CC1.N38.N57
|
CO[C@@H](CCSC)C(=O)NC(C)(C)CNC(=O)c1cccc2c1OCCO2
|
CO[C@@H]CCSC))))C=O)NCC)C)CNC=O)cccccc6OCCO6
|
[C][O][C@@H1][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][Ring1][=Branch1]
|
c19cccc2c1OCCO2.[C@H]5(CC8)C3=O.C6(C)(C)C7.C49=O.CO5.S8C.N36.N47
|
COc1cccc(CNC(=O)c2c(Br)cnn2CC(=O)O)c1C
|
COcccccCNC=O)ccBr)cnn5CC=O)O)))))))))))c6C
|
[C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Ring2][C]
|
c14cccc8c1C.c16c(Br)cnn17.C7C(=O)O.C36=O.CO4.C58.N35
|
COC[C@H]1CC[C@@H]1C(=O)N[C@@](C)(CNC(=O)C=Cc1ccco1)C1CC1
|
COC[C@H]CC[C@@H]4C=O)N[C@@]C)CNC=O)C=Ccccco5))))))))))CCC3
|
[C][O][C][C@H1][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
C=8c1ccco1.[C@H]19CC[C@@H]17.[C@@]5%10(C)C6.C3(=O)C=8.C27=O.C1%10CC1.CO4.C49.N25.N36
|
Cc1cccnc1CC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C)C2)CC[C@@H]1C
|
Cccccnc6CC=O)NCCNC=O)[C@@H]CC[C@H]C)C5))))))CC[C@@H]7C
|
[C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][C][C][C][Ring1][=Branch1][C][C][C@@H1][Ring1][#C][C]
|
N13CCN4CC[C@@H]1C.Cc1cccnc16.[C@@H]15CC[C@H](C)C1.C6C3=O.C45=O
|
COCc1cccc(CN=c2nc(N(C)C[C@@H](C)C(C)(C)C)c3sccc3[nH]2)c1
|
COCcccccCN=cncNC)C[C@@H]C)CC)C)C)))))csccc5[nH]9)))))))))))c6
|
[C][O][C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][N][=C][N][=C][Branch2][Ring1][C][N][Branch1][C][C][C][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][S][C][=C][C][=Ring1][Branch1][NH1][Ring2][Ring1][C][=C][Ring2][Ring1][#Branch2]
|
C8N=c1nc6c2sccc2[nH]1.c17cccc8c1.C5[C@@H](C)C(C)(C)C.N56C.CO4.C47
|
C[C@@H](CNC(=O)C1=CCCOC1)CN(C)c1nc(C2CCCCC2)nc(=N)[nH]1
|
C[C@@H]CNC=O)C=CCCOC6)))))))))CNC)cncCCCCCC6))))))nc=N)[nH]6
|
[C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][C][O][C][Ring1][=Branch1][C][N][Branch1][C][C][C][=N][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][=N][C][=Branch1][C][=N][NH1][Ring1][=N]
|
C3(=O)C1=CCCOC1.c16nc7nc(=N)[nH]1.C17CCCCC1.C[C@@H](C4)C5.N56C.N34
|
C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2cccnc2)n1
|
C[C@@H]CCCC[C@H]6NC=O)Nccccc-ccccnc6))))))n6
|
[C][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][Ring1][N]
|
C[C@@H]1CCCC[C@H]16.c15cccc7n1.c17cccnc1.C34=O.N36.N45
|
CCOC[C@H](C)NC(=NCCOC)NCc1ccon1
|
CCOC[C@H]C)NC=NCCOC)))))NCcccon5
|
[C][C][O][C][C@H1][Branch1][C][C][N][C][=Branch1][=Branch1][=N][C][C][O][C][N][C][C][C][=C][O][N][=Ring1][Branch1]
|
N5C(=NCC4)N6.c17ccon1.C3[C@@H]5C.CC2.O23.O4C.C67
|
C[C@@H]1CC[C@H](C)[C@H]1NC(=O)C[C@H]1CCC[C@@H](NC(=O)C(F)(F)C2CC2)C1
|
C[C@@H]CC[C@H]C)[C@H]5NC=O)C[C@H]CCC[C@@H]NC=O)CF)F)CCC3))))))C6
|
[C][C@@H1][C][C][C@H1][Branch1][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][Ring1][#C]
|
C[C@@H]1CC[C@H](C)[C@H]15.[C@H]17CCC[C@@H]6C1.C4(=O)C8(F)F.C3(=O)C7.C18CC1.N35.N46
|
CC(=Cn1ccnn1)C(=O)NCC1(CCNC(=O)C2(O)CC(C)(C)C2)CC1
|
CC=Cnccnn5))))))C=O)NCCCCNC=O)CO)CCC)C)C4))))))))CC3
|
[C][C][=Branch1][=Branch2][=C][N][C][=C][N][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][#C]
|
CC(=Cn1ccnn1)C3=O.C17(O)CC(C)(C)C1.C189CC1.C9C6.C47=O.N35.C58.N46
|
C[C@@H]1CN(C(=O)[C@@H]2Cc3cccnc3C2)CC[C@H]1NC(=O)[C@H]1CC[C@H](C)CC1
|
C[C@@H]CNC=O)[C@@H]Cccccnc6C9))))))))))CC[C@H]6NC=O)[C@H]CC[C@H]C)CC6
|
[C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=Branch2][C][C][C@H1][Ring1][P][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][#Branch1]
|
[C@@H]17Cc2cccnc2C1.C[C@@H]1CN4CC[C@H]16.[C@H]18CC[C@H](C)CC1.C47=O.C58=O.N56
|
C[C@]1(C(=O)NC[C@H]2CCCC23CCN(C(=O)c2ccnnc2)CC3)CCNC1=O
|
C[C@]C=O)NC[C@H]CCCC5CCNC=O)cccnnc6)))))))CC6)))))))))))))CCNC5=O
|
[C][C@][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][Ring1][Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=N][N][=C][Ring1][=Branch1][C][C][Ring1][=C][C][C][N][C][Ring2][Ring1][O][=O]
|
[C@H]19CCCC12CCN5CC2.C[C@]17CCNC1=O.c18ccnnc1.C47=O.C58=O.N46.C69
|
CNC(=O)NC(=O)[C@@H](C)N(C)C[C@@H]1CCN(C(=O)c2ccc(N(C)C)cn2)C1
|
CNC=O)NC=O)[C@@H]C)NC)C[C@@H]CCNC=O)ccccNC)C))cn6)))))))C5
|
[C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=N][Ring1][=Branch2][C][Ring1][S]
|
c1%10ccc9cn1.[C@@H]1%11CCN6C1.C5(=O)[C@H]7C.C34=O.N78C.C6%10=O.N9(C)C.CN3.N45.C8%11
|
O=C(C1CC1)N1CC[C@@H](F)[C@H](NC(=O)[C@@]2(F)C[C@@H]2c2ccccc2)C1
|
O=CCCC3)))NCC[C@@H]F)[C@H]NC=O)[C@@]F)C[C@@H]3cccccc6)))))))))))C6
|
[O][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][C][C][C@@H1][Branch1][C][F][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C@@H1][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
N13CC[C@@H](F)[C@H]5C1.c18ccccc1.[C@]17(F)C[C@@H]18.O=C36.C16CC1.C47=O.N45
|
CC[C@H]1CCO[C@H]1C(=O)N1CC[C@@]2(C1)CN(C(=O)[C@]1(CO)CCOC1)CCO2
|
CC[C@H]CCO[C@H]5C=O)NCC[C@@]C5)CNC=O)[C@]CO))CCOC5))))))CCO6
|
[C][C][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@][Branch1][Ring1][C][O][C][C][O][C][Ring1][#Branch1][C][C][O][Ring1][S]
|
N13CC[C@@]2(C1)CN4CCO2.[C@H]17CCO[C@H]15.[C@@]168CCOC1.C35=O.C46=O.CC7.C8O
|
Cc1nc(SCC(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCN(C(C)C)C3)C23CC3)n[nH]1
|
CcncSCC=O)NCC[C@@H]NC=O)[C@@H]CCCNCC)C))C6))))))))C5CC3))))))))))n[nH]5
|
[C][C][=N][C][Branch2][Ring2][=Branch2][S][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring1][P][C][C][Ring1][Ring1][=N][NH1][Ring2][Ring1][N]
|
N14CC[C@@H]8C12CC2.[C@@H]19CCCN6C1.Cc1nc%10n[nH]1.C7C4=O.C59=O.C6(C)C.S7%10.N58
|
CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(O)([C@H]2CCCN2C(=O)CN(C)C2CC2)C1
|
CC=O)NC[C@H]O)C[C@@H]5C=O)NCCO)[C@H]CCCN5C=O)CNC)CCC3)))))))))))C4
|
[C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][C]
|
N13C[C@H](O)C[C@@H]18.N14CC9(O)C1.[C@H]19CCCN15.C5(=O)C6.CC3=O.C48=O.N67C.C17CC1
|
O=C(C=Cc1ccccn1)N[C@H]1CCN(C(=O)CN2CCC(C(F)(F)F)CC2)C1
|
O=CC=Ccccccn6))))))))N[C@H]CCNC=O)CNCCCCF)F)F))CC6))))))))C5
|
[O][=C][Branch1][O][C][=C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C@H1][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][N][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch2][C][Ring2][Ring1][C]
|
C=7c1ccccn1.N15CCC8CC1.[C@H]16CCN4C1.O=C3C=7.C4(=O)C5.C8(F)(F)F.N36
|
CCc1sccc1C(=O)NC[C@@H]1C[C@@H](OC)CN1C(=O)[C@@H]1CC=CC[C@H]1C
|
CCcsccc5C=O)NC[C@@H]C[C@@H]OC))CN5C=O)[C@@H]CC=CC[C@H]6C
|
[C][C][C][S][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][Ring1][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][C][C][=C][C][C@H1][Ring1][=Branch1][C]
|
[C@@H]18C[C@@H]4CN13.[C@@H]16CC=CC[C@H]1C.c19sccc17.C27=O.C36=O.CC9.N25.C58.O4C
|
O=C(CCCCCn1cnnn1)N[C@H](CO)CNC(=O)[C@H]1CCC(=O)O1
|
O=CCCCCCncnnn5))))))))))N[C@H]CO))CNC=O)[C@H]CCC=O)O5
|
[O][=C][Branch1][=N][C][C][C][C][C][N][C][=N][N][=N][Ring1][Branch1][N][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
O=C2CCCCC7.[C@H]16CCC(=O)O1.n17cnnn1.[C@H]4(C5)CO.C36=O.N24.N35
|
Cc1cc(CC(=O)N2CCC(NC(=O)c3cc(F)c(F)cc3I)CC2)no1
|
CcccCC=O)NCCCNC=O)cccF)cF)cc6I)))))))))CC6))))))))no5
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][=C][Ring1][Branch2][I][C][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][#Branch2]
|
c17cc(F)c(F)cc1I.N14CCC6CC1.Cc1cc8no1.C8C4=O.C57=O.N56
|
CC[C@@H]1CCN(C(=O)Cn2nnnc2C)[C@@H]1CNC(=O)c1ccnc(N(C)C)c1
|
CC[C@@H]CCNC=O)Cnnnnc5C))))))))[C@@H]5CNC=O)cccncNC)C))c6
|
[C][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][N][=N][N][=C][Ring1][Branch1][C][C@@H1][Ring1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2]
|
[C@@H]1%10CCN3[C@@H]19.c17ccnc6c1.n18nnnc1C.C3(=O)C8.C47=O.N6(C)C.CC%10.C59.N45
|
CC1=NO[C@](C)(C(=O)NC[C@](C)(CC(C)C)NC(=O)Cc2ccc(C)nc2Cl)C1
|
CC=NO[C@]C)C=O)NC[C@]C)CCC)C)))NC=O)CccccC)nc6Cl))))))))))))))C5
|
[C][C][=N][O][C@][Branch1][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][C][N][=C][Ring1][#Branch1][Cl][C][Ring2][Ring1][N]
|
C5[C@]6(C)CC(C)C.c18ccc(C)nc1Cl.CC1=NO[C@@]7(C)C1.C4(=O)C8.C37=O.N35.N46
|
C[C@@H](C(=O)NC1([C@H]2CCN(C(=O)C(C)(C)CS(N)(=O)=O)C2)CC1)N1CCNC1=O
|
C[C@@H]C=O)NC[C@H]CCNC=O)CC)C)CSN)=O)=O)))))C5)))))CC3)))))NCCNC5=O
|
[C][C@@H1][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch2][Ring1][#C][C@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][#C][C][C][Ring2][Ring1][C][N][C][C][N][C][Ring1][Branch1][=O]
|
C4(=O)C(C)(C)CS(N)(=O)=O.C15([C@H]2CCN4C2)CC1.N16CCNC1=O.C[C@H]6C3=O.N35
|
COC[C@@H](NC(C)=O)C(=O)NCC1CC2(C1)CC(NC(=O)C(F)(F)C(F)(F)F)C2
|
COC[C@@H]NCC)=O)))C=O)NCCCCC4)CCNC=O)CF)F)CF)F)F)))))C4
|
[C][O][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C]
|
C5(=O)C(F)(F)C(F)(F)F.C1%10CC2(CC9C2)C1.C6[C@@H]7C4=O.C3(C)=O.CO6.N37.N48.C8%10.N59
|
CC[C@H](CNC(=O)COCc1cccnc1)NC(=O)[C@@H]1CC(=O)N(OC)C1
|
CC[C@H]CNC=O)COCccccnc6))))))))))))NC=O)[C@@H]CC=O)NOC))C5
|
[C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][Ring1][O][C][C][Ring1][Branch2]
|
[C@@H]18CC(=O)N(OC)C1.c19cccnc1.CC[C@@H]6C7.C2(=O)C4.C38=O.N27.O45.C59.N36
|
CC(C)n1ccnc1C(=O)N[C@@H]1C[C@H]1NC(=O)C[C@@H](C)C(F)(F)F
|
CCC)nccnc5C=O)N[C@@H]C[C@H]3NC=O)C[C@@H]C)CF)F)F
|
[C][C][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C3(=O)C[C@@H](C)C(F)(F)F.n17ccnc16.[C@@H]14C[C@H]15.CC7C.C26=O.N24.N35
|
CC1CCN(C(=O)CN(C(=O)C(=O)C(C)(C)C)C2CC(C#N)C2)CC1
|
CCCCNC=O)CNC=O)C=O)CC)C)C))))CCCC#N))C4)))))))CC6
|
[C][C][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C][N][Branch1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][Ring1][C][#N][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
C4(=O)C(=O)C(C)(C)C.CC1CCN3CC1.C16CC(C#N)C1.C3(=O)C5.N456
|
Cc1ocnc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCC[C@H](O)CO
|
Ccocnc5C=O)NC[C@@H]O)C[C@H]5C=O)NCCC[C@H]O)CO
|
[C][C][O][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][O][C][O]
|
N12C[C@@H](O)C[C@H]15.C4CC[C@H](O)CO.Cc1ocnc16.C26=O.C35=O.N34
|
CCOC1CC(CNC(=O)[C@@H](CCOCCO)NC(=O)CC(C2CC2)C2CC2)C1
|
CCOCCCCNC=O)[C@@H]CCOCCO))))))NC=O)CCCCC3)))CCC3)))))))))))C4
|
[C][C][O][C][C][C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#Branch1][C][C][O][C][C][O][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
C3(=O)[C@H]%12CC8.C6(=O)CC45.C1%10CC%13C1.C9CO.C14CC1.C15CC1.CC7.O7%10.C%11%13.N3%11.O89.N6%12
|
Cc1cc(C)n([C@@H](C)C(=O)N[C@@H](C)CNC(=O)C2(CS(C)(=O)=O)COC2)n1
|
CcccC)n[C@@H]C)C=O)N[C@@H]C)CNC=O)CCSC)=O)=O)))COC4)))))))))))n5
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring2][Branch1][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][O][C][Ring1][=Branch2][N][=Ring2][Ring1][#Branch2]
|
Cc1cc(C)n8n1.[C@H]8(C)C3=O.C179COC1.C9S(C)(=O)=O.[C@H]5(C)C6.C47=O.N35.N46
|
CC(C)[C@@H](O)CC(=O)N1CCC[C@@]1(C)CNC(=O)Cc1cccnc1Br
|
CCC)[C@@H]O)CC=O)NCCC[C@@]5C)CNC=O)Cccccnc6Br
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][Br]
|
CC(C)[C@@H](O)CC2=O.N12CCC[C@]15C.c16cccnc1Br.C3(=O)C6.C45.N34
|
CC[C@@]1(O)CCN(N(C)[C@H](C)c2ccc(F)c(F)c2)C1
|
CC[C@@]O)CCNNC)[C@H]C)ccccF)cF)c6))))))))C5
|
[C][C][C@@][Branch1][C][O][C][C][N][Branch2][Ring1][#Branch1][N][Branch1][C][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring2][Ring1][C]
|
[C@]13(O)CCN(N(C)[C@@H]4C)C1.c14ccc(F)c(F)c1.CC3
|
C[C@H](C(=O)N(C)[C@H]1CCN(C(=O)c2cc(F)c(Br)cc2O)C1)N1CCC1
|
C[C@H]C=O)NC)[C@H]CCNC=O)cccF)cBr)cc6O))))))))C5)))))))NCCC4
|
[C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][O][C][Ring1][S][N][C][C][C][Ring1][Ring2]
|
c17cc(F)c(Br)cc1O.[C@H]16CCN4C1.C[C@@H]5C3=O.N15CCC1.N36C.C47=O
|
C[C@H](CN(C)C)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[nH]n3)cc2)c1
|
C[C@H]CNC)C)))NC)C=O)cccccOcccc-cnn[nH]n5)))))cc6)))))))c6
|
[C][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring1][O][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][=C][Ring2][Ring1][C]
|
c19cccc5c1.c16ccc%10cc1.c1%10nn[nH]n1.C[C@@H]7C8.N8(C)C.N47C.C49=O.O56
|
C[C@H]1C[C@H](NC(=O)CCN(C)CC(F)(F)F)CN(C(=O)CCC(C)(C)[N+](=O)[O-])C1
|
C[C@H]C[C@H]NC=O)CCNC)CCF)F)F))))))))CNC=O)CCCC)C)[N+]=O)[O-]))))))C6
|
[C][C@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1][C][Ring2][Ring1][N]
|
C3(=O)CCC(C)(C)[N+](=O)[O-].C[C@H]1C[C@H]6CN3C1.C2(=O)CC4.C5C(F)(F)F.N45C.N26
|
CCCn1cc(Cl)c(C(=O)N[C@H]2[C@H](C)CN(C(=O)Cn3ccnc3C)C[C@@H]2C)n1
|
CCCnccCl)cC=O)N[C@H][C@H]C)CNC=O)Cnccnc5C))))))))C[C@@H]6C)))))))))n5
|
[C][C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][=C][N][=C][Ring1][Branch1][C][C][C@@H1][Ring1][S][C][=N][Ring2][Ring1][#Branch2]
|
[C@H]16[C@H](C)CN5C[C@@H]1C.n18cc(Cl)c7n1.n19ccnc1C.C5(=O)C9.CCC8.C47=O.N46
|
CC[C@H](C(=O)OCc1ccc(Cl)c(C(=O)OC)c1)N1C(=O)CCC1=O
|
CC[C@H]C=O)OCccccCl)cC=O)OC)))c6)))))))))NC=O)CCC5=O
|
[C][C][C@H1][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
c17ccc(Cl)c5c1.N16C(=O)CCC1=O.CC[C@@H]6C2=O.C35=O.O24.C47.O3C
|
CSC1(CNC(=O)C[C@H]2C[C@@H](C)N(C(=O)CCCF)C2)CCC1
|
CSCCNC=O)C[C@H]C[C@@H]C)NC=O)CCCF)))))C5)))))))))CCC4
|
[C][S][C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Branch1][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][F][C][Ring1][N][C][C][C][Ring2][Ring1][Branch1]
|
[C@H]18C[C@@H](C)N4C1.C4(=O)CCCF.C167CCC1.C3(=O)C8.CS6.C57.N35
|
Cc1ccn([C@H](C)C(=O)N2CC(C)(C(=O)N(C)[C@@H](C)CC(F)(F)F)C2)n1
|
Ccccn[C@H]C)C=O)NCCC)C=O)NC)[C@@H]C)CCF)F)F))))))C4))))))n5
|
[C][C][C][=C][N][Branch2][Ring2][#Branch2][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][S][N][=Ring2][Ring1][=Branch2]
|
[C@H]5(C)CC(F)(F)F.Cc1ccn7n1.N13CC6(C)C1.[C@@H]7(C)C3=O.C46=O.N45C
|
Cc1cc(C(=O)N(C)[C@@H](C(=O)N[C@@H](C)CCN(C)C)C2CC2)nnc1O
|
CcccC=O)NC)[C@@H]C=O)N[C@@H]C)CCNC)C)))))))CCC3))))))nnc6O
|
[C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][C][C][C][Ring1][Ring1][=N][N][=C][Ring2][Ring1][Branch2][O]
|
Cc1cc8nnc1O.[C@@H]59C4=O.[C@H]6(C)CC7.C38=O.N35C.N7(C)C.C19CC1.N46
|
CCC[C@H](CNC(=O)C[C@H]1C[C@@H](OC)C1)C(=O)NCC1(SC)CCC1
|
CCC[C@H]CNC=O)C[C@H]C[C@@H]OC))C4))))))))C=O)NCCSC))CCC4
|
[C][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C@@H1][Branch1][Ring1][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][Ring1][S][C][C][C][C][Ring1][=Branch1]
|
CCC[C@H](C5)C3=O.[C@H]18C[C@@H]4C1.C179CCC1.C2(=O)C8.N25.O4C.N36.C69.S7C
|
CCCc1ncc(C(=O)N2CC[C@H](CN(C)C(=O)c3ccn4cncc4c3)C2)s1
|
CCCcnccC=O)NCC[C@H]CNC)C=O)cccncncc5c9))))))))))))C5))))))s5
|
[C][C][C][C][=N][C][=C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][N][C][=N][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][#Branch2]
|
c19ccn2cncc2c1.c1%10ncc8s1.N15CC[C@H]%11C1.CCC%10.C58=O.N67C.C69=O.C7%11
|
C[C@@H](CC(=O)N[C@H]1CCCCN(C(=O)COc2cncc(Cl)n2)C1)CC(F)(F)F
|
C[C@@H]CC=O)N[C@H]CCCCNC=O)COccnccCl)n6)))))))))C7))))))))))CCF)F)F
|
[C][C@@H1][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][Ring2][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F]
|
C[C@@H](CC3=O)CC(F)(F)F.[C@H]17CCCCN4C1.c16cncc(Cl)n1.C4(=O)C5.N37.O56
|
CCOC=CC(=O)N1CCC[C@H]([C@H](C)N=c2cc(C#N)nc(C)[nH]2)C1
|
CCOC=CC=O)NCCC[C@H][C@H]C)N=cccC#N))ncC)[nH]6))))))))C6
|
[C][C][O][C][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][N][=C][C][=C][Branch1][Ring1][C][#N][N][=C][Branch1][C][C][NH1][Ring1][=Branch2][C][Ring2][Ring1][C]
|
[C@@H]5(C)N=c1cc(C#N)nc(C)[nH]1.N13CCC[C@H]5C1.O4C=CC3=O.CC4
|
CN(C[C@H]1CCN(C(=O)c2cc(-c3ccncc3)[nH]n2)C1)c1nnc(O)s1
|
CNC[C@H]CCNC=O)ccc-cccncc6))))))[nH]n5))))))C5))))))cnncO)s5
|
[C][N][Branch2][Ring2][C][C][C@H1][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][NH1][N][=Ring1][O][C][Ring2][Ring1][C][C][=N][N][=C][Branch1][C][O][S][Ring1][=Branch1]
|
[C@H]18CCN4C1.c17cc9[nH]n1.c19ccncc1.c16nnc(O)s1.CN56.C47=O.C58
|
C/C=C(\C)C(=O)N1C[C@H]2CCN(C(=O)c3cncc(F)c3Cl)CC[C@H]2C1
|
C/C=C\C)C=O)NC[C@H]CCNC=O)ccnccF)c6Cl))))))))CC[C@H]7C%10
|
[C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Cl][C][C][C@H1][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14C[C@H]2CCN5CC[C@H]2C1.c16cncc(F)c1Cl.C=7(C)C4=O.C56=O.CC=7
|
CCS(=O)(=O)C[C@@H](C)N=c1[nH]c2c(c(=NCCc3ccccc3OC)[nH]1)SCC2
|
CCS=O)=O)C[C@@H]C)N=c[nH]ccc=NCCcccccc6OC)))))))))))[nH]6))SCC5
|
[C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch1][C][C][N][=C][NH1][C][=C][Branch2][Ring1][Ring2][C][=Branch1][=C][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][NH1][Ring1][P][S][C][C][Ring2][Ring1][C]
|
CCS(=O)(=O)C[C@@H](C)N=c1[nH]c2c(c(=NCC5)[nH]1)SCC2.c15ccccc14.O4C
|
Cc1cccc2nc(N[C@@H]3C[C@@H]4[C@@H](O)[C@@H](O)C[C@@H]43)oc12
|
CcccccncN[C@@H]C[C@@H][C@@H]O)[C@@H]O)C[C@@H]57))))))))oc95
|
[C][C][=C][C][=C][C][N][=C][Branch2][Ring1][Ring1][N][C@@H1][C][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C@@H1][Ring1][#Branch1][Ring1][=Branch2][O][C][Ring2][Ring1][Ring1][=Ring1][#C]
|
Cc1cccc2nc5oc12.[C@@H]16C[C@@H]2[C@@H](O)[C@@H](O)C[C@@H]21.N56
|
Cn1nccc1[C@H]1CN(C(=O)c2cscn2)CCN1C(=O)c1cnnc(O)c1
|
Cnnccc5[C@H]CNC=O)ccscn5))))))CCN6C=O)ccnncO)c6
|
[C][N][N][=C][C][=C][Ring1][Branch1][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1]
|
[C@H]17CN3CCN14.c16cnnc(O)c1.Cn1nccc17.c15cscn1.C35=O.C46=O
|
CCn1nncc1C(=O)N1CC2=C(CN(C(=O)C[C@@H](C)C(C)(C)CC)C2)C1
|
CCnnncc5C=O)NCC=CCNC=O)C[C@@H]C)CC)C)CC))))))C5)))C5
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][O][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][#C][C][Ring2][Ring1][C]
|
C4(=O)C[C@@H](C)C(C)(C)CC.N13CC2=C(C1)CN4C2.n16nncc15.C35=O.CC6
|
CS[C@H](C(=O)N1CC[C@@H](NC(=O)C2(Cl)CC2)[C@@H](F)C1)c1ccccc1
|
CS[C@H]C=O)NCC[C@@H]NC=O)CCl)CC3)))))[C@@H]F)C6)))))))cccccc6
|
[C][S][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][C][Ring1][Ring2][C@@H1][Branch1][C][F][C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
N13CC[C@@H]6[C@@H](F)C1.c18ccccc1.[C@H]58C3=O.C17(Cl)CC1.C47=O.CS5.N46
|
C[C@@H]1CCCC[C@@]1(CN=c1ccc(C#N)c[nH]1)NC(=O)[C@H]1CCC2(CCC2)O1
|
C[C@@H]CCCC[C@@]6CN=ccccC#N))c[nH]6))))))))NC=O)[C@H]CCCCCC4)))O5
|
[C][C@@H1][C][C][C][C][C@@][Ring1][=Branch1][Branch1][#C][C][N][=C][C][=C][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][Branch2][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][O][Ring1][Branch2]
|
C6N=c1ccc(C#N)c[nH]1.C[C@@H]1CCCC[C@]146.[C@H]15CCC2(CCC2)O1.C35=O.N34
|
O=C(Nc1cccc(CN=S2(=O)CCCC2)c1)c1ccc2c(c1)NS(=O)(=O)C2
|
O=CNcccccCN=S=O)CCCC5)))))))c6)))))))cccccc6)NS=O)=O)C5
|
[O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][C][N][=S][=Branch1][C][=O][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][Branch2]
|
c15ccc2c(c1)NS(=O)(=O)C2.C6N=S1(=O)CCCC1.c14cccc6c1.O=C35.N34
|
CC(C)c1scnc1C(=O)N[C@@H](CNC(=O)C1=CCCSC1)C(C)(C)C
|
CCC)cscnc5C=O)N[C@@H]CNC=O)C=CCCSC6)))))))))CC)C)C
|
[C][C][Branch1][C][C][C][S][C][=N][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][C][S][C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]
|
C3(=O)C1=CCCSC1.[C@H]4(C5)C(C)(C)C.c17scnc16.CC7C.C26=O.N24.N35
|
CC[C@@H](C(=O)N[C@](C)(CC)CNC(=O)CC1CCC2(CC1)CC2)N(CC)CC
|
CC[C@@H]C=O)N[C@]C)CC))CNC=O)CCCCCCC6))CC3)))))))))))))NCC))CC
|
[C][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1][N][Branch1][Ring1][C][C][C][C]
|
C1%10CCC2(CC1)CC2.CC[C@H]5C3=O.[C@@]6(C)(C7)CC.C4(=O)C%10.N589.N36.N47.C8C.C9C
|
O=C(CCCN1CCCC1)N[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C(F)F)C12CCC2
|
O=CCCCNCCCC5))))))))N[C@@H]CCNC=O)[C@@H]CCC[C@H]5CF)F))))))))C5CCC4
|
[O][=C][Branch1][O][C][C][C][N][C][C][C][C][Ring1][Branch1][N][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Branch1][C][F][F][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
[C@@H]16CCN4C12CCC2.O=C3CCC5.[C@@H]17CCC[C@H]18.N15CCCC1.C47=O.C8(F)F.N36
|
CO[C@@H](CNC(=O)CS(=O)(=O)c1ccccc1C)CNC(=O)[C@@H]1C[C@H]1F
|
CO[C@@H]CNC=O)CS=O)=O)cccccc6C))))))))))))CNC=O)[C@@H]C[C@H]3F
|
[C][O][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][F]
|
C2(=O)CS(=O)(=O)c1ccccc1C.[C@H]4(C5)C6.[C@@H]17C[C@H]1F.C37=O.CO4.N25.N36
|
CC[C@H](C)C[C@H](C)N(C)[C@@H](C(=O)Nc1ccc(F)cc1C)c1cc(C(C)C)on1
|
CC[C@H]C)C[C@H]C)NC)[C@@H]C=O)NccccF)cc6C)))))))))cccCC)C))on5
|
[C][C][C@H1][Branch1][C][C][C][C@H1][Branch1][C][C][N][Branch1][C][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][O][N][=Ring1][Branch2]
|
c15ccc(F)cc1C.CC[C@H](C)C[C@@H]3C.c16cc7on1.[C@@H]46C2=O.N34C.C7(C)C.N25
|
Cc1ccc([C@H]2CCCCN2Cc2cn(Cc3ccccc3)nn2)o1
|
Ccccc[C@H]CCCCN6CccnCcccccc6)))))))nn5))))))))))))o5
|
[C][C][=C][C][=C][Branch2][Ring1][N][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][=C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][N][O][Ring2][Ring1][Branch2]
|
[C@H]18CCCCN14.Cc1ccc8o1.c16cn5nn1.c17ccccc1.C46.C57
|
Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)c3cc(C(C)(C)C)n(C)n3)C2)c(C)n1
|
CccccC=O)N[C@H]CCCNC=O)cccCC)C)C))nC)n5))))))C6))))))))cC)n6
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][N][=Ring1][#Branch2][C][Ring2][Ring1][C][C][Branch1][C][C][=N][Ring2][Ring1][N]
|
Cc1ccc8c(C)n1.[C@H]16CCCN5C1.c17cc9n(C)n1.C9(C)(C)C.C48=O.C57=O.N46
|
CCCc1nsc(N)c1C(=O)N[C@H]1CO[C@@H](C(F)F)C1
|
CCCcnscN)c5C=O)N[C@H]CO[C@@H]CF)F))C5
|
[C][C][C][C][=N][S][C][Branch1][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C@@H1][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring1][Branch2]
|
c16nsc(N)c14.[C@H]13CO[C@@H]5C1.CCC6.C24=O.C5(F)F.N23
|
Cc1cnc(CN2CC3(C[C@H](NC(=O)C[C@H](C)c4ccc(F)cc4)CO3)C2)cn1
|
CccncCNCCC[C@H]NC=O)C[C@H]C)ccccF)cc6))))))))))CO5))))C4)))))cn6
|
[C][C][=C][N][=C][Branch2][Ring2][O][C][N][C][C][Branch2][Ring1][S][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O][Ring2][Ring1][C][C][Ring2][Ring1][Branch1][C][=N][Ring2][Ring1][N]
|
N16CC2(C[C@H]7CO2)C1.Cc1cnc8cn1.c19ccc(F)cc1.C5(=O)C[C@@H]9C.C68.N57
|
CCOc1c(Cl)cc(C)nc1C(=O)N1CC2(C1)CN(C(=O)[C@H]1CCC1(C)C)C2
|
CCOccCl)ccC)nc6C=O)NCCC4)CNC=O)[C@H]CCC4C)C))))))C4
|
[C][C][O][C][=C][Branch1][C][Cl][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][Ring1][=N]
|
c16c(Cl)cc(C)nc17.N13CC2(C1)CN4C2.[C@H]18CCC1(C)C.C37=O.C48=O.CC5.O56
|
Cc1cccc([C@@H](O)C(=O)NCC2(CCNC(=O)c3ncccc3Br)CC2)c1
|
Cccccc[C@@H]O)C=O)NCCCCNC=O)cncccc6Br)))))))))))CC3)))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring2][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][Br][C][C][Ring1][#C][=C][Ring2][Ring1][O]
|
Cc1cccc%11c1.c18ncccc1Br.[C@H]%11(O)C4=O.C19%10CC1.C%10C7.C58=O.N46.C69.N57
|
COc1ncc(C(=O)N2CCCN(CCNC(=O)[C@H]3OCCO[C@H]3C)CC2)cn1
|
COcnccC=O)NCCCNCCNC=O)[C@H]OCCO[C@H]6C)))))))))))CC7))))))))cn6
|
[C][O][C][=N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][C][N][C][=Branch1][C][=O][C@H1][O][C][C][O][C@H1][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring1][C][=N][Ring2][Ring1][O]
|
N14CCCN7CC1.c16ncc%10cn1.[C@H]19OCCO[C@H]1C.C4%10=O.C7C8.C59=O.CO6.N58
|
O=C(N[C@@H]1CN(C(=O)c2cscn2)[C@@H]2C[C@H]21)c1cnc(Cl)s1
|
O=CN[C@@H]CNC=O)ccscn5))))))[C@@H]C[C@H]36)))))))ccncCl)s5
|
[O][=C][Branch2][Ring1][=Branch2][N][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][C][=N][Ring1][Branch1][C@@H1][C][C@H1][Ring1][Ring1][Ring1][=N][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1]
|
[C@@H]15CN4[C@@H]2C[C@@H]12.c16cnc(Cl)s1.c17cscn1.O=C36.C47=O.N35
|
CCCCCC(=O)NC[C@@H]1[C@H]2C[C@H]2CN1C(=O)[C@@H](CC)N(C)C(=O)OC(C)(C)C
|
CCCCCC=O)NC[C@@H][C@H]C[C@H]3CN6C=O)[C@@H]CC))NC)C=O)OCC)C)C
|
[C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C@H1][C][C@H1][Ring1][Ring1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
CCCCCC4=O.[C@@H]1%10[C@H]2C[C@H]2CN15.C5(=O)[C@H]9CC.C7(C)(C)C.N69C.C36=O.N48.C8%10.O37
|
O=C(N[C@H]1CC[C@H]2C[C@H]1CN2C(=O)CCc1ccnc(Cl)c1)c1cnccc1Cl
|
O=CN[C@H]CC[C@H]C[C@H]6CN5C=O)CCcccncCl)c6))))))))))))))))))ccnccc6Cl
|
[O][=C][Branch2][Ring1][#C][N][C@H1][C][C][C@H1][C][C@H1][Ring1][=Branch1][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][Ring1][=Branch1][Cl]
|
[C@H]15CC[C@H]2C[C@H]1CN24.c17ccnc(Cl)c1.c16cnccc1Cl.C4(=O)CC7.O=C36.N35
|
C=C[C@H](OC)C(=O)N1CCC[C@@](CO)(NC(=O)CCCCCOC)C1
|
C=C[C@H]OC))C=O)NCCC[C@@]CO))NC=O)CCCCCOC)))))))))C6
|
[C][=C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][Ring1][C][O][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][C][C][O][C][C][Ring2][Ring1][C]
|
N12CCC[C@]67C1.C3(=O)CCCCC5.C=C[C@H]4C2=O.O4C.C7O.N36.O5C
|
Cn1cnc2c(NC[C@@]3(CF)CC34CCOCC4)[nH]c(=NCC3(CF)CC3)nc21
|
CncnccNC[C@@]CF))CC3CCOCC6))))))))))[nH]c=NCCCF))CC3)))))nc69
|
[C][N][C][=N][C][=C][Branch2][Ring1][Ring1][N][C][C@@][Branch1][Ring1][C][F][C][C][Ring1][Branch1][C][C][O][C][C][Ring1][=Branch1][NH1][C][=Branch1][N][=N][C][C][Branch1][Ring1][C][F][C][C][Ring1][Branch1][N][=C][Ring2][Ring1][=Branch2][Ring2][Ring1][N]
|
Cn1cnc2c6[nH]c(=NC9)nc21.[C@]178CC12CCOCC2.C19%10CC1.N56.C57.C8F.C%10F
|
C=CC[C@@H](NC(=O)CCC(=O)C(C)(C)C)C(=O)NCCCc1ccncc1
|
C=CC[C@@H]NC=O)CCC=O)CC)C)C)))))))C=O)NCCCcccncc6
|
[C][=C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
C2(=O)CCC(=O)C(C)(C)C.C=CC[C@@H]4C3=O.c16ccncc1.C5CC6.N24.N35
|
CC(C)SCCNC(=O)CCC1(NC(=O)[C@@H]2C[C@]2(C)C(C)C)CCCC1
|
CCC)SCCNC=O)CCCNC=O)[C@@H]C[C@]3C)CC)C)))))))CCCC5
|
[C][C][Branch1][C][C][S][C][C][N][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][C@][Ring1][Ring1][Branch1][C][C][C][Branch1][C][C][C][C][C][C][C][Ring1][#C]
|
C16%10CCCC1.C3(=O)CC%10.[C@@H]19C[C@@]1%11C.CC7C.C8C5.C49=O.C%11(C)C.S78.N35.N46
|
Cc1cc(CCN=c2cc(C)c(S(=O)(=O)N3CCS[C@H](C)CC3)c[nH]2)on1
|
CcccCCN=cccC)cS=O)=O)NCCS[C@H]C)CC7))))))))c[nH]6)))))))))on5
|
[C][C][C][=C][Branch2][Ring2][=Branch1][C][C][N][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][S][C@H1][Branch1][C][C][C][C][Ring1][Branch2][=C][NH1][Ring2][Ring1][C][O][N][=Ring2][Ring1][#Branch2]
|
C5CN=c1cc(C)c(S4(=O)=O)c[nH]1.N14CCS[C@H](C)CC1.Cc1cc5on1
|
Cc1[nH][nH]c(=N)c1C(=O)N[C@@H]1CN(C(=O)[C@H]2CCCO2)C[C@H]1c1ccc(F)cc1
|
Cc[nH][nH]c=N)c5C=O)N[C@@H]CNC=O)[C@H]CCCO5))))))C[C@H]5ccccF)cc6
|
[C][C][NH1][NH1][C][=Branch1][C][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][O][Ring1][Branch1][C][C@H1][Ring1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
Cc1[nH][nH]c(=N)c17.[C@@H]15CN4C[C@H]18.c18ccc(F)cc1.[C@H]16CCCO1.C37=O.C46=O.N35
|
CC(C)(NCc1cn(-c2ccc(Cl)cn2)nn1)c1ccccc1
|
CCC)NCccn-ccccCl)cn6))))))nn5)))))))cccccc6
|
[C][C][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][=N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c17ccc(Cl)cn1.c15cn7nn1.c16ccccc1.CC36C.N34.C45
|
C[C@@H]1CCN(C(=O)c2nccn3ccnc23)[C@@H]1CNC(=O)C1CC=CC1
|
C[C@@H]CCNC=O)cnccnccnc95))))))))))[C@@H]5CNC=O)CCC=CC5
|
[C][C@@H1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][N][C][=C][N][=C][Ring1][=Branch2][Ring1][Branch1][C@@H1][Ring1][S][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1]
|
c17nccn2ccnc12.C[C@@H]1CCN4[C@@H]19.C18CC=CC1.C47=O.C58=O.C69.N56
|
COC(=O)NC[C@H](C)NC(=O)[C@H]1CCN(C(=O)[C@@H]2[C@H]3CCCO[C@H]32)[C@@H](C)C1
|
COC=O)NC[C@H]C)NC=O)[C@H]CCNC=O)[C@@H][C@H]CCCO[C@H]67))))))))[C@@H]C)C6
|
[C][O][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][O][C@H1][Ring1][=Branch1][Ring1][#Branch1][C@@H1][Branch1][C][C][C][Ring1][S]
|
[C@H]1%10CCN7[C@@H](C)C1.[C@@H]1%11[C@H]2CCCO[C@@H]12.C8[C@@H]9C.C45=O.C6%10=O.C7%11=O.CO4.N58.N69
|
COCn1nccc1-c1c(C2CC2)n[nH]c1C(=O)O
|
COCnnccc5-ccCCC3)))n[nH]c5C=O)O
|
[C][O][C][N][N][=C][C][=C][Ring1][Branch1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][NH1][C][=Ring1][Branch2][C][=Branch1][C][=O][O]
|
c16c5n[nH]c13.n14nccc16.COC4.C15CC1.C3(=O)O
|
Cn1c(C(=O)N[C@H]2CCN(C(=O)CCc3cc(F)ccc3F)C2(C)C)cnc1S
|
CncC=O)N[C@H]CCNC=O)CCcccF)ccc6F))))))))))C5C)C))))))))cnc5S
|
[C][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][Ring1][P][Branch1][C][C][C][=C][N][=C][Ring2][Ring1][O][S]
|
[C@H]16CCN5C1(C)C.c18cc(F)ccc1F.Cn1c7cnc1S.C5(=O)CC8.C47=O.N46
|
CN1CC[C@]2(CCN2C(=O)c2ccccc2Cn2cc(CC3(O)COC3)nn2)C1
|
CNCC[C@]CCN4C=O)cccccc6CnccCCO)COC4)))))nn5))))))))))))))))C5
|
[C][N][C][C][C@][Branch2][Ring2][=Branch1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=C][Branch1][O][C][C][Branch1][C][O][C][O][C][Ring1][Branch1][N][=N][Ring1][O][C][Ring2][Ring1][N]
|
CN1CC[C@]2(CCN24)C1.c15ccccc19.n16cc7nn1.C18(O)COC1.C45=O.C69.C78
|
CC[C@H](CCO)CNS(=O)(=O)c1cccnc1NCC1=CCCCC1
|
CC[C@H]CCO)))CNS=O)=O)ccccnc6NCC=CCCCC6
|
[C][C][C@H1][Branch1][Ring2][C][C][O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][=C][C][C][C][C][Ring1][=Branch1]
|
S4(=O)(=O)c1cccnc15.CC[C@@H](C2)CCO.C3C1=CCCCC1.N24.N35
|
CCOCCO[C@H](C)C(=O)N[C@H](C)C1CN(C(=O)c2nc(=N)cc[nH]2)C1
|
CCOCCO[C@H]C)C=O)N[C@H]C)CCNC=O)cnc=N)cc[nH]6)))))))C4
|
[C][C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][C][=Branch1][C][=N][C][=C][NH1][Ring1][#Branch1][C][Ring1][=N]
|
c1%10nc(=N)cc[nH]1.[C@@H]8(C)C3=O.C1%11CN4C1.C6C7.[C@H]9%11C.C4%10=O.CC5.O56.O78.N39
|
CCCN1CCC[C@@H](NC(=O)c2ccc(-c3cc(C#N)n(C(F)F)c3)cc2)C1
|
CCCNCCC[C@@H]NC=O)cccc-cccC#N))nCF)F))c5)))))cc6))))))))C6
|
[C][C][C][N][C][C][C][C@@H1][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][=C][Branch1][Ring1][C][#N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][#Branch2][C][=C][Ring1][S][C][Ring2][Ring1][=Branch2]
|
c19cc(C#N)n8c1.N15CCC[C@@H]6C1.c17ccc9cc1.CCC5.C47=O.C8(F)F.N46
|
C=CC/C=C/CCC(=O)N1CCC[C@@H](C)[C@@H]1CNC(=O)CN(C)C1CCC1
|
C=CC/C=C/CCC=O)NCCC[C@@H]C)[C@@H]6CNC=O)CNC)CCCC4
|
[C][=C][C][/C][=C][/C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][C][Ring1][Ring2]
|
N12CCC[C@@H](C)[C@@H]18.C=7CCC2=O.C=CCC=7.C3(=O)C5.C16CCC1.N56C.C48.N34
|
COc1ccccc1[C@@H](O)CNC[C@@H]1[C@H]2CCC[C@H]1N(C(=O)OC(C)(C)C)C2
|
COcccccc6[C@@H]O)CNC[C@@H][C@H]CCC[C@H]6NC=O)OCC)C)C))))C7
|
[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][O][C][N][C][C@@H1][C@H1][C][C][C][C@H1][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C]
|
[C@@H]19[C@H]2CCC[C@H]1N4C2.c16ccccc1%10.[C@H]%10(O)C7.C5(C)(C)C.C34=O.CO6.N78.C89.O35
|
CN1CCC[C@]1(C)C(=O)NC[C@]1(CNC(=O)CC2(C)CC2)CC12CCC2
|
CNCCC[C@]5C)C=O)NC[C@]CNC=O)CCC)CC3)))))))CC3CCC4
|
[C][N][C][C][C][C@][Ring1][Branch1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][S][C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][N][C][C][C][Ring1][Ring2]
|
CN1CCC[C@@]17C.[C@@]189CC12CCC2.C4(=O)C%10.C1%10(C)CC1.C37=O.N35.C58.C69.N46
|
Cc1nc(C(=O)N2CCN(C(=O)C3C4(CCC4)C34CCC4)[C@H]3C[C@H]32)co1
|
CcncC=O)NCCNC=O)CCCCC4)))C3CCC4)))))))[C@H]C[C@H]37))))))))co5
|
[C][C][=N][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C@H1][C][C@H1][Ring1][Ring1][Ring2][Ring1][C][=C][O][Ring2][Ring1][=Branch2]
|
C18C2(CCC2)C12CCC2.N15CCN6[C@H]2C[C@H]21.Cc1nc7co1.C57=O.C68=O
|
CC(C)n1ncnc1S(=O)(=O)NC[C@H]1CO[C@@H](C(F)(F)F)C1
|
CCC)nncnc5S=O)=O)NC[C@H]CO[C@@H]CF)F)F))C5
|
[C][C][Branch1][C][C][N][N][=C][N][=C][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][C][O][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=Branch2]
|
n14ncnc1S3(=O)=O.[C@H]16CO[C@@H]5C1.C5(F)(F)F.CC4C.N23.C26
|
O=C(C[C@@H]1CC2(CCC2)CO1)NCCN1CCCN(C(=O)[C@@]23C[C@@H](F)[C@@H]2C3)CC1
|
O=CC[C@@H]CCCCC4)))CO5))))))NCCNCCCNC=O)[C@@]C[C@@H]F)[C@@H]4C5))))))CC7
|
[O][=C][Branch1][S][C][C@@H1][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][Branch2][N][C][C][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@][C][C@@H1][Branch1][C][F][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][C][Ring1][#C]
|
[C@@H]19CC2(CCC2)CO1.N17CCCN5CC1.[C@@]128C[C@@H](F)[C@@H]1C2.O=C4C9.C6C7.C58=O.N46
|
Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N[C@H]1C[C@H](NC(=O)c2ccns2)C1
|
CccF)ccSN)=O)=O))cc6C=O)N[C@H]C[C@H]NC=O)cccns5)))))))C4
|
[C][C][=C][Branch1][C][F][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][=N][S][Ring1][Branch1][C][Ring1][N]
|
Cc1c8cc(S(N)(=O)=O)cc1F.[C@H]15C[C@H]6C1.c17ccns1.C38=O.C47=O.N35.N46
|
O=C(CCC1CC(F)(F)C1)N[C@H]1C[C@H](NC(=O)C2(C3CCCCC3)CC2)[C@@H](O)C1
|
O=CCCCCCF)F)C4))))))N[C@H]C[C@H]NC=O)CCCCCCC6))))))CC3)))))[C@@H]O)C5
|
[O][=C][Branch1][#C][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][N][C@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch2][C@@H1][Branch1][C][O][C][Ring2][Ring1][C]
|
C18(C2CCCCC2)CC1.[C@H]16C[C@H]7[C@@H](O)C1.C19CC(F)(F)C1.O=C4CC9.C58=O.N46.N57
|
CCOC[C@@H](C)C(=O)N(C)CCCCCNC(=O)C12CC(C)(CO1)C2
|
CCOC[C@@H]C)C=O)NC)CCCCCNC=O)CCCC)CO5))C4
|
[C][C][O][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][Branch1][C][O][Ring1][=Branch1][C][Ring1][#Branch1]
|
C129CC(C)(CO1)C2.C6[C@@H](C)C3=O.C7CCCC8.N37C.C49=O.CC5.O56.N48
|
CCN(CC)C(=O)Nc1ccc(NC(=O)Cc2cn(CC)nn2)c(Cl)c1
|
CCNCC))C=O)NccccNC=O)CccnCC))nn5))))))))cCl)c6
|
[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][Ring1][C][C][N][=N][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][C]
|
c18ccc9c(Cl)c1.c1%11cn%10nn1.C5(=O)C%11.N367.C34=O.CC6.C7C.N48.N59.C%10C
|
N#CCn1nccc1C(=O)N1CCN(CCNC(=O)C2CC(S(N)(=O)=O)C2)CC1
|
N#CCnnccc5C=O)NCCNCCNC=O)CCCSN)=O)=O))C4))))))))CC6
|
[N][#C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][Ring1][Branch2][C][C][Ring2][Ring1][Ring1]
|
C18CC(S(N)(=O)=O)C1.N13CCN5CC1.n19nccc17.N#CC9.C37=O.C5C6.C48=O.N46
|
CN1CCC[C@@H]1C=CC(=O)N1C[C@H]2C[C@@H](C1)[C@H](C(=O)NC1[C@H]3CCCCC[C@H]13)C2
|
CNCCC[C@@H]5C=CC=O)NC[C@H]C[C@@H]C6)[C@H]C=O)NC[C@H]CCCCC[C@H]87))))))))))C5
|
[C][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C][C][C@H1][Ring1][Branch2][Ring1][#Branch1][C][Ring1][P]
|
N14C[C@H]2C[C@@H](C1)[C@H]7C2.C16[C@H]2CCCCC[C@H]12.CN1CCC[C@@H]1C=8.C=8C4=O.C57=O.N56
|
CN(C(=O)CCn1cncn1)C1CCC(NC(=O)CN2OC(C)(C)CC2=O)CC1
|
CNC=O)CCncncn5))))))))CCCCNC=O)CNOCC)C)CC5=O)))))))))CC6
|
[C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch1][=O][C][C][Ring2][Ring1][C]
|
N18OC(C)(C)CC1=O.C15CCC6CC1.C3(=O)CC7.n17cncn1.C4(=O)C8.CN35.N46
|
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