SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCc1cnoc1C(=O)NC[C@@H]1C[C@@H](NC(=O)c2ccc3nnnn3c2)CCO1
|
CCccnoc5C=O)NC[C@@H]C[C@@H]NC=O)ccccnnnn5c9)))))))))))CCO6
|
[C][C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=N][N][=N][N][Ring1][Branch1][C][=Ring1][=Branch2][C][C][O][Ring2][Ring1][C]
|
c19ccc2nnnn2c1.[C@@H]1%10C[C@@H]7CCO1.c1%11cnoc18.C48=O.C59=O.CC%11.N46.C6%10.N57
|
C=C[C@H](O)C(=O)N[C@H]1CCOC2(CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)C1
|
C=C[C@H]O)C=O)N[C@H]CCOCCCNccccC)cc6[N+]=O)[O-]))))))))CC6)))))C6
|
[C][=C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][P][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][S][C][Ring2][Ring1][Branch1]
|
[C@H]16CCOC2(CCN5CC2)C1.c15ccc(C)cc1[N+](=O)[O-].C=C[C@H](O)C4=O.N46
|
C[C@H](CCc1ccco1)Nc1cc(N2CC[C@H](n3cccn3)C2)ncn1
|
C[C@H]CCcccco5)))))))NcccNCC[C@H]ncccn5)))))C5)))))ncn6
|
[C][C@H1][Branch1][#Branch2][C][C][C][=C][C][=C][O][Ring1][Branch1][N][C][=C][C][Branch1][P][N][C][C][C@H1][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][#Branch2][=N][C][=N][Ring1][S]
|
c15cc6ncn1.N16CC[C@H]8C1.C[C@@H]4CC7.c17ccco1.n18cccn1.N45
|
Cc1ncc(CC(=O)N2CCN(c3ncnc4cc(F)ccc34)CC2)s1
|
CcnccCC=O)NCCNcncncccF)ccc%106))))))))))CC6))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][Ring1][P][S][Ring2][Ring1][=Branch2]
|
c16ncnc2cc(F)ccc12.N15CCN6CC1.Cc1ncc7s1.C7C5=O
|
CC(C)(C)OC(=O)N1CCC(OCC(=O)N2CCc3cc(C(=O)O)sc3C2)CC1
|
CCC)C)OC=O)NCCCOCC=O)NCCcccC=O)O))sc5C9))))))))))))CC6
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][O][C][C][=Branch1][C][=O][N][C][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][S][C][=Ring1][Branch2][C][Ring1][N][C][C][Ring2][Ring1][=Branch1]
|
N16CCc2cc%10sc2C1.N15CCC9CC1.CC7(C)C.C8C6=O.C45=O.C%10(=O)O.O47.O89
|
Cc1csc(CC(=O)NC[C@H]2CN(C(=O)[C@H]3C[C@H]4CC(=O)[C@H]3O4)C[C@H]2O)c1
|
CccscCC=O)NC[C@H]CNC=O)[C@H]C[C@H]CC=O)[C@H]6O5))))))))C[C@H]5O))))))))))c5
|
[C][C][=C][S][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C@H1][C][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][O][Ring1][=Branch1][C][C@H1][Ring1][#C][O][=C][Ring2][Ring1][#Branch2]
|
[C@H]18C[C@H]2CC(=O)[C@H]1O2.[C@H]1%10CN6C[C@H]1O.Cc1csc9c1.C9C5=O.C68=O.N57.C7%10
|
C[C@H](CN(C)C(=O)CC[C@H]1CCC(=O)N1)NC(=O)c1ncnn1C
|
C[C@H]CNC)C=O)CC[C@H]CCC=O)N5))))))))))NC=O)cncnn5C
|
[C][C@H1][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=N][N][Ring1][Branch1][C]
|
[C@H]17CCC(=O)N1.c16ncnn1C.C2(=O)CC7.C[C@@H]4C5.N25C.C36=O.N34
|
CCC[C@](C)(CC)C(=O)NC[C@H]1CN(C(=O)CCN(C)C(C)=O)C(C)(C)C1
|
CCC[C@]C)CC))C=O)NC[C@H]CNC=O)CCNC)CC)=O))))))CC)C)C5
|
[C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][S]
|
CCC[C@](C)(CC)C2=O.[C@H]17CN3C(C)(C)C1.C3(=O)CC6.N46C.C4(C)=O.N25.C57
|
O=C(C=CCF)N[C@@H]1[C@@H](CNC(=O)c2cc[nH]c3nccc2-3)CCC12CCC2
|
O=CC=CCF))))N[C@@H][C@@H]CNC=O)ccc[nH]cnccc9-5))))))))))))CCC5CCC4
|
[O][=C][Branch1][Branch1][C][=C][C][F][N][C@@H1][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][NH1][C][=N][C][=C][C][=Ring1][=Branch2][Ring1][Branch1][C][C][C][Ring2][Ring1][C][C][C][C][Ring1][Ring2]
|
[C@@H]17[C@@H]%10CCC12CCC2.c18cc[nH]c2nccc1-2.O=C4C=9.C=9CF.C58=O.N47.C6%10.N56
|
CCO[C@@H](C)C(=O)N1CCCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)[C@H](CO)C1
|
CCO[C@@H]C)C=O)NCCCNC=O)cccF)ccCF)F)F))c6)))))))[C@H]CO))C7
|
[C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C@H1][Branch1][Ring1][C][O][C][Ring2][Ring1][=Branch1]
|
N13CCCN4[C@H]8C1.c17cc9cc(F)c1.[C@H]6(C)C3=O.C9(F)(F)F.C47=O.CC5.O56.C8O
|
CC(=C(F)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(CS(C)(=O)=O)o2)CC1)C1CC1
|
CC=CF)C=O)N[C@H]CC[C@H]NC=O)ccccCSC)=O)=O)))o5)))))))CC6)))))))))CCC3
|
[C][C][=Branch2][Ring2][=N][=C][Branch1][C][F][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
[C@H]15CC[C@H]6CC1.c17ccc9o1.CC=8C1CC1.C=8(F)C3=O.C9S(C)(=O)=O.C47=O.N35.N46
|
COCc1cnc(OC)c(C(=O)N(C)Cc2nc3c(s2)CCCC3)c1
|
COCccncOC))cC=O)NC)Ccnccs5)CCCC6)))))))))))c6
|
[C][O][C][C][=C][N][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch1]
|
c19nc2c(s1)CCCC2.c1%10cnc6c8c1.C48=O.N47C.CO5.C5%10.O6C.C79
|
O=C(NCc1cc(Br)no1)[C@@H]1C[C@@]12CCN(S(=O)(=O)c1ccccc1F)C2
|
O=CNCcccBr)no5)))))))[C@@H]C[C@@]3CCNS=O)=O)cccccc6F))))))))C5
|
[O][=C][Branch1][=N][N][C][C][=C][C][Branch1][C][Br][=N][O][Ring1][=Branch1][C@@H1][C][C@@][Ring1][Ring1][C][C][N][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][#C]
|
S5(=O)(=O)c1ccccc1F.[C@@H]16C[C@@]12CCN5C2.c17cc(Br)no1.O=C36.N34.C47
|
O=C(C1=COCCC1)N1CCC(O)(CCNC(=O)[C@@]23CCCN2C[C@H](O)C3)CC1
|
O=CC=COCCC6))))))NCCCO)CCNC=O)[C@@]CCCN5C[C@H]O)C8))))))))))))CC6
|
[O][=C][Branch1][=Branch2][C][=C][O][C][C][C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C@@][C][C][C][N][Ring1][Branch1][C][C@H1][Branch1][C][O][C][Ring1][=Branch2][C][C][Ring2][Ring1][Branch1]
|
[C@@]127CCCN1C[C@H](O)C2.O=C4C1=COCCC1.N14CCC8(O)CC1.C8C6.C57=O.N56
|
CCCCCC[C@](C)(CC)C(=O)N1CC[C@](C)(NC(=O)c2ccc(Cl)c(Cl)c2)C1
|
CCCCCC[C@]C)CC))C=O)NCC[C@]C)NC=O)ccccCl)cCl)c6))))))))C5
|
[C][C][C][C][C][C][C@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][Ring1][P]
|
CCCCCC[C@](C)(CC)C3=O.c16ccc(Cl)c(Cl)c1.N13CC[C@@]5(C)C1.C46=O.N45
|
Cn1nc(C(=O)N2C[C@H]3C[C@@H]2[C@H]3NC(=O)CN2CCCCCC2)cc1[N+](=O)[O-]
|
CnncC=O)NC[C@H]C[C@@H]5[C@H]4NC=O)CNCCCCCC7)))))))))))))))))cc5[N+]=O)[O-]
|
[C][N][N][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
|
Cn1nc8cc1[N+](=O)[O-].N14C[C@H]2C[C@@H]1[C@H]27.N16CCCCCC1.C5(=O)C6.C48=O.N57
|
CNC(=O)C[C@@H](C)CNC(=O)C[C@@H](NC(=O)CCc1ccccn1)C(C)C
|
CNC=O)C[C@@H]C)CNC=O)C[C@@H]NC=O)CCcccccn6))))))))))CC)C
|
[C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][C][C]
|
C3(=O)C[C@@H]6C(C)C.C2(=O)C[C@@H](C)C5.c17ccccn1.C4(=O)CC7.CN2.N35.N46
|
CN(C)CC[C@H](O)C(=O)NCc1ncoc1CCNC(=O)[C@@H]1CN2CCC1CC2
|
CNC)CC[C@H]O)C=O)NCcncoc5CCNC=O)[C@@H]CNCCC6CC6
|
[C][N][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][=C][O][C][=Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
[C@@H]18CN2CCC1CC2.C5C[C@H](O)C3=O.c19ncoc1%10.CN5C.C%10C7.C48=O.N36.C69.N47
|
CC(C)=CCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2CCCC3(CCOCC3)O2)C[C@@H]1O
|
CCC)=CCCC=O)N[C@@H]CNC=O)[C@@H]CCCCCCOCC6)))))O6)))))))C[C@@H]5O
|
[C][C][Branch1][C][C][=C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][C][Branch1][Branch2][C][C][O][C][C][Ring1][=Branch1][O][Ring1][O][C][C@@H1][Ring2][Ring1][C][O]
|
[C@@H]17CCCC2(CCOCC2)O1.[C@@H]16CN5C[C@@H]1O.C=8CCC4=O.CC=8C.C57=O.N46
|
CCCNC(=O)NC(C)(C)C(=O)N1[C@H]2CCC[C@H]1CN(C(=O)[C@]1(O)CCOC1)C2
|
CCCNC=O)NCC)C)C=O)N[C@H]CCC[C@H]6CNC=O)[C@]O)CCOC5))))))C8
|
[C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C@][Branch1][C][O][C][C][O][C][Ring1][=Branch1][C][Ring1][S]
|
N15[C@H]2CCC[C@H]1CN6C2.C8(C)(C)C5=O.[C@@]19(O)CCOC1.CCC7.C34=O.C69=O.N37.N48
|
C[C@H]1CCCN1CC(=O)Nc1cccc(NC(=O)c2cc(O)cc(=O)o2)c1
|
C[C@H]CCCN5CC=O)NcccccNC=O)cccO)cc=O)o6))))))))c6
|
[C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=Branch1][C][=O][O][Ring1][Branch2][=C][Ring1][P]
|
c18cc(O)cc(=O)o1.c16cccc7c1.C[C@H]1CCCN15.C5C3=O.C48=O.N36.N47
|
CC[C@]1(C)C[C@H](NC(=O)c2ccc(C3CC3)c(F)c2)CN1C(=O)c1ccncc1
|
CC[C@]C)C[C@H]NC=O)ccccCCC3)))cF)c6))))))))CN5C=O)cccncc6
|
[C][C][C@][Branch1][C][C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][C][F][=C][Ring1][#Branch2][C][N][Ring2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]
|
[C@@]19(C)C[C@H]6CN15.c17ccc%10c(F)c1.c18ccncc1.C47=O.C1%10CC1.C58=O.CC9.N46
|
Cc1ccc(CN=C(N[C@@H]2CCS(=O)(=O)C2)N[C@@H]2CCOc3c(C)cccc32)s1
|
CccccCN=CN[C@@H]CCS=O)=O)C5))))))N[C@@H]CCOccC)cccc6%10))))))))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][=C][Branch1][#C][N][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][C@@H1][C][C][O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Ring1][O][S][Ring2][Ring1][N]
|
C5N=C(N4)N[C@@H]1CCOc2c(C)cccc21.[C@@H]14CCS(=O)(=O)C1.Cc1ccc5s1
|
CN(C)C(=O)CCC(=O)N1C[C@@]2(C(=O)N3CC[C@H](OCC4CC4)C3)C[C@H]1CCO2
|
CNC)C=O)CCC=O)NC[C@@]C=O)NCC[C@H]OCCCC3)))))C5))))))C[C@H]5CCO6
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][Ring1][#Branch2][C][C@H1][Ring1][P][C][C][O][Ring2][Ring1][C]
|
N16C[C@@]2%10C[C@H]1CCO2.C5(=O)CCC6=O.N17CC[C@H]9C1.CN5C.C7%10=O.C1%11CC1.O89.C8%11
|
NC(=O)[C@@H]1CC[C@H](C(=O)NC[C@@H]2COCCN2C(=O)[C@H]2C[C@@H](n3cnnc3)C2)O1
|
NC=O)[C@@H]CC[C@H]C=O)NC[C@@H]COCCN6C=O)[C@H]C[C@@H]ncnnc5)))))C4))))))))))))))O5
|
[N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][Branch2][N][C][=N][N][=C][Ring1][Branch1][C][Ring1][=Branch2][O][Ring2][Ring1][#Branch2]
|
[C@@H]1%10COCCN15.[C@@H]17CC[C@H]8O1.[C@H]19C[C@@H]%11C1.n1%11cnnc1.NC7=O.C48=O.C59=O.N46.C6%10
|
C=CCCC(C)(C)N[C@@H](c1nnnn1[C@@H](C)c1ccccc1)C(C)(C)OC(C)C
|
C=CCCCC)C)N[C@@H]cnnnn5[C@@H]C)cccccc6))))))))))))CC)C)OCC)C
|
[C][=C][C][C][C][Branch1][C][C][Branch1][C][C][N][C@@H1][Branch2][Ring1][Ring2][C][=N][N][=N][N][Ring1][Branch1][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][O][C][Branch1][C][C][C]
|
C=CCCC4(C)C.[C@H]57C2(C)C.c17nnnn16.c18ccccc1.[C@@H]68C.C3(C)C.N45.O23
|
CC[C@@H](C)CC(=O)C(=O)N[C@H](C(=O)N1CC(=O)N[C@H](C)C1)[C@@H](C)OC
|
CC[C@@H]C)CC=O)C=O)N[C@H]C=O)NCC=O)N[C@H]C)C6)))))))[C@@H]C)OC
|
[C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][Ring1][Branch2][C@@H1][Branch1][C][C][O][C]
|
CC[C@@H](C)CC(=O)C2=O.N13CC(=O)N[C@H](C)C1.[C@@H]5(C3=O)[C@H]4C.N25.O4C
|
CN(Cc1ncc(Br)cn1)c1nc(N[C@@H]2CC=CCC2)c2cnn(C)c2n1
|
CNCcnccBr)cn6)))))))cncN[C@@H]CC=CCC6)))))))ccnnC)c5n9
|
[C][N][Branch1][=N][C][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=N][C][Branch1][#Branch2][N][C@@H1][C][C][=C][C][C][Ring1][=Branch1][=C][C][=N][N][Branch1][C][C][C][Ring1][=Branch1][=N][Ring1][P]
|
c14nc5c2cnn(C)c2n1.c17ncc(Br)cn1.[C@@H]16CC=CCC1.CN34.C37.N56
|
C=C(Br)CC(C)(C)C(=O)NCC[C@H]1CCN(C(=O)[C@H]2CCCN2C=O)C1
|
C=CBr)CCC)C)C=O)NCC[C@H]CCNC=O)[C@H]CCCN5C=O))))))))C5
|
[C][=C][Branch1][C][Br][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][=O][C][Ring1][=C]
|
C=C(Br)CC(C)(C)C3=O.[C@H]16CCCN1C=O.[C@H]17CCN4C1.C5C7.C46=O.N35
|
C=CC[C@@H](CO)N=c1cccc(S(=O)(=O)NCCC(C)(C)C2CC2)[nH]1
|
C=CC[C@@H]CO))N=cccccS=O)=O)NCCCC)C)CCC3))))))))[nH]6
|
[C][=C][C][C@@H1][Branch1][Ring1][C][O][N][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][NH1][Ring2][Ring1][C]
|
C=CC[C@@H](CO)N=c1cccc(S4(=O)=O)[nH]1.C3CC5(C)C.C15CC1.N34
|
Nc1cc(F)cc(C(=O)NC[C@H]2CCC[C@H]2NC(=O)Cc2cccnc2)c1
|
NcccF)ccC=O)NC[C@H]CCC[C@H]5NC=O)Cccccnc6)))))))))))))))))c6
|
[N][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2]
|
Nc1cc7cc(F)c1.[C@H]18CCC[C@H]16.c19cccnc1.C4(=O)C9.C37=O.N35.C58.N46
|
CCOC1(CC(=O)N(CC)CCN(CC)C(=O)[C@@H]2CCC[C@@H](C)C2)CC1
|
CCOCCC=O)NCC))CCNCC))C=O)[C@@H]CCC[C@@H]C)C6)))))))))))))CC3
|
[C][C][O][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1]
|
[C@@H]1%12CCC[C@@H](C)C1.C174CC1.C4C3=O.N389.C9C%10.N5%10%11.C5%12=O.CC6.O67.C8C.C%11C
|
O=C(C=Cc1cnccn1)NCc1nc(CNC(=O)[C@@H]2CCCCS2)cs1
|
O=CC=Cccnccn6))))))))NCcncCNC=O)[C@@H]CCCCS6)))))))))cs5
|
[O][=C][Branch1][O][C][=C][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][=N][C][Branch1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][S][Ring1][=Branch1][=C][S][Ring1][#C]
|
C=8c1cnccn1.c19nc%10cs1.[C@@H]17CCCCS1.O=C3C=8.C47=O.N35.C59.C6%10.N46
|
C#Cc1ccc(C(=O)N2CC(F)(CNC(=O)Cc3ccccc3C)C2)cc1F
|
C#CccccC=O)NCCF)CNC=O)Ccccccc6C)))))))))))C4)))))cc6F
|
[C][#C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][C][=C][Ring2][Ring1][=Branch2][F]
|
C#Cc1ccc7cc1F.c19ccccc1C.N14CC8(F)C1.C5(=O)C9.C47=O.C68.N56
|
CC1(C)[C@H]2CN(C(=O)C[C@H]3CC[C@H](NCc4ccc(O)cc4O)CC3)C[C@@H]21
|
CCC)[C@H]CNC=O)C[C@H]CC[C@H]NCccccO)cc6O)))))))))CC6))))))))C[C@@H]56
|
[C][C][Branch1][C][C][C@H1][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C@H1][C][C][C@H1][Branch1][#C][N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][C][Ring1][S][C][C@@H1][Ring2][Ring1][Branch2][Ring2][Ring1][#Branch2]
|
CC1(C)[C@H]2CN5C[C@@H]21.c19ccc(O)cc1O.[C@H]18CC[C@H]7CC1.C5(=O)C8.N67.C69
|
Cn1nc(O)cc1C(=O)N1CCCC[C@@H](CNC(=O)[C@@]2(C)CCCCC2(F)F)C1
|
CnncO)cc5C=O)NCCCC[C@@H]CNC=O)[C@@]C)CCCCC6F)F))))))))))C7
|
[C][N][N][=C][Branch1][C][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][Branch1][C][F][F][C][Ring2][Ring1][Ring2]
|
[C@]17(C)CCCCC1(F)F.N13CCCC[C@@H]8C1.Cn1nc(O)cc16.C36=O.C47=O.C58.N45
|
CCCOc1cccnc1C(=O)N[C@H](C)CN(C)C(=O)c1cccnc1NC
|
CCCOccccnc6C=O)N[C@H]C)CNC)C=O)ccccnc6NC
|
[C][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C]
|
c15cccnc19.c1%10cccnc18.[C@@H]6(C)C7.CCC4.C29=O.N37C.C3%10=O.O45.N26.N8C
|
CNC(=O)N[C@@H](C)C(=O)NC1CCC(NC(=O)C2CN(C(C)C)C2)CC1
|
CNC=O)N[C@@H]C)C=O)NCCCCNC=O)CCNCC)C))C4))))))CC6
|
[C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch1][C][C][Ring1][S]
|
C19CCC%10CC1.[C@H]7(C)C5=O.C1%11CN8C1.C34=O.C6%11=O.C8(C)C.CN3.N47.N59.N6%10
|
CNc1ccnc(CN=c2[nH]cnc(NCc3ccc4c(c3)CN(C)C4)c2C)c1
|
CNcccncCN=c[nH]cncNCcccccc6)CNC)C5))))))))))c6C)))))))))c6
|
[C][N][C][=C][C][=N][C][Branch2][Ring2][Ring2][C][N][=C][NH1][C][=N][C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][N][Branch1][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O]
|
C8N=c1[nH]cnc6c1C.c19ccc2c(c1)CN(C)C2.c17ccnc8c1.CN7.N56.C59
|
Cc1ccc2n[nH]cc2c1C(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCC=CCCC2)C1
|
Cccccn[nH]cc5c9C=O)NC[C@H]O)[C@H]NC=O)[C@H]CCC=CCCC8))))))))))C5
|
[C][C][C][=C][C][=N][NH1][C][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C][C][=C][C][C][C][Ring1][Branch2][C][Ring1][P]
|
Cc1ccc2n[nH]cc2c17.[C@H]16CCC=CCCC1.N13C[C@@H]5[C@@H](O)C1.C37=O.C46=O.N45
|
COC1CC(CNC(=O)c2ccc(C3CC3)s2)(NC(=O)[C@H]2CC=CCO2)C1
|
COCCCCNC=O)ccccCCC3)))s5))))))))NC=O)[C@H]CC=CCO6))))))))C4
|
[C][O][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][S][Ring1][Branch2][Branch1][=C][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][O][Ring1][=Branch1][C][Ring2][Ring1][=Branch2]
|
C16CC7%11C1.c1%10ccc%12s1.[C@H]19CC=CCO1.C4%10=O.C1%12CC1.C59=O.CO6.C8%11.N48.N57
|
CCCC1CC(C(=O)NCCC[C@H](O)C(=O)N[C@H]2C3CCN(CC3)[C@@H]2C)C1
|
CCCCCCC=O)NCCC[C@H]O)C=O)N[C@H]CCCNCC6))[C@@H]6C)))))))))))))))C4
|
[C][C][C][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C][N][Branch1][Branch1][C][C][Ring1][=Branch1][C@@H1][Ring1][Branch2][C][C][Ring2][Ring1][Branch2]
|
[C@H]17C2CCN(CC2)[C@@H]1C.C6CC[C@H](O)C5=O.C19CC8C1.CCC9.C48=O.N46.N57
|
O=C(CC=Cc1ccccc1F)N1C[C@H]2CC[C@@H](C1)N(C(=O)c1cocn1)C2
|
O=CCC=Ccccccc6F))))))))))NC[C@H]CC[C@@H]C7)NC=O)ccocn5))))))C6
|
[O][=C][Branch1][=N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1][C][Ring1][=C]
|
N13C[C@H]2CC[C@@H](C1)N4C2.C=6c1ccccc1F.O=C3CC=6.c15cocn1.C45=O
|
Cn1nncc1C(=O)N1CCC[C@@H](CCNC(=O)C(C)(C)c2nccs2)C1
|
Cnnncc5C=O)NCCC[C@@H]CCNC=O)CC)C)cnccs5))))))))))C6
|
[C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
N13CCC[C@@H]8C1.Cn1nncc16.C4(=O)C7(C)C.c17nccs1.C36=O.C8C5.N45
|
CCC(CC)[C@H](F)C(=O)N1CC2CC(C(=O)NCCOC(C)C)(C2)C1
|
CCCCC))[C@H]F)C=O)NCCCCC=O)NCCOCC)C)))))))C4)C6
|
[C][C][C][Branch1][Ring1][C][C][C@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][C][Branch1][Ring2][C][Ring1][=N][C][Ring1][S]
|
CCC(CC)[C@H](F)C3=O.N13CC2CC8(C2)C1.C48=O.C7C5.C6(C)C.N47.O56
|
CS[C@H](C)[C@H](O)C(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CN3CCN2C[C@H]3C)C1
|
CS[C@H]C)[C@H]O)C=O)NC[C@@H]O)[C@H]NC=O)[C@@H]CNCCN6C[C@H]6C)))))))))))C5
|
[C][S][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][C][N][C][C][N][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
[C@@H]18CN2CCN1C[C@H]2C.[C@@H]6(C)[C@H](O)C4=O.N14C[C@@H]7[C@H](O)C1.C58=O.CS6.N57
|
Cc1oc(Cl)nc1C(=O)NC[C@@H]1C[C@@H](C)CN(C(=O)c2sccc2CO)C1
|
CcocCl)nc5C=O)NC[C@@H]C[C@@H]C)CNC=O)csccc5CO))))))))C6
|
[C][C][O][C][Branch1][C][Cl][=N][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][O][C][Ring1][S]
|
[C@@H]18C[C@@H](C)CN4C1.Cc1oc(Cl)nc16.c17sccc19.C36=O.C47=O.N35.C58.C9O
|
Cc1ncc(CC(=O)N2CCC3(CCCN(C(=O)C#CC4CCCC4)C3)CC2)s1
|
CcnccCC=O)NCCCCCCNC=O)C#CCCCCC5))))))))C6)))))CC6))))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][#C][C][C][C][C][C][Ring1][Branch1][C][Ring1][#C][C][C][Ring2][Ring1][Ring2][S][Ring2][Ring1][N]
|
N15CCC2(CCCN6C2)CC1.C6(=O)C#CC1CCCC1.Cc1ncc7s1.C7C5=O
|
CCC(C#N)(CC)C(=O)NC[C@@]1(NC(=O)[C@H](C)Oc2cccnc2)CCOC1
|
CCCC#N))CC))C=O)NC[C@@]NC=O)[C@H]C)Occccnc6))))))))))CCOC5
|
[C][C][C][Branch1][Ring1][C][#N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][O][C][Ring1][P]
|
CCC(C#N)(CC)C3=O.[C@@]189CCOC1.c16cccnc1.C4(=O)[C@@H]5C.N37.C79.N48.O56
|
CCCNC(=O)CCCC(=O)NC[C@H]1SCCc2ccccc21
|
CCCNC=O)CCCC=O)NC[C@H]SCCcccccc6%10
|
[C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C@H1][S][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2]
|
C6[C@H]1SCCc2ccccc21.C3(=O)CCCC4=O.CCC5.N35.N46
|
O=C(N[C@H](CC(=O)N(CCO)CC(F)F)C1CC1)[C@H]1CCCCS1
|
O=CN[C@H]CC=O)NCCO)))CCF)F))))))CCC3)))))[C@H]CCCCS6
|
[O][=C][Branch2][Ring1][N][N][C@H1][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][O][C][C][Branch1][C][F][F][C][C][C][Ring1][Ring1][C@H1][C][C][C][C][S][Ring1][=Branch1]
|
[C@H]48CC3=O.[C@H]17CCCCS1.C6C(F)F.O=C27.N356.C5CO.C18CC1.N24
|
C=CC[C@@H](C)C(=O)N[C@H]1CC[C@@H](C(=O)N[C@H](C)C2CCC2)C1
|
C=CC[C@@H]C)C=O)N[C@H]CC[C@@H]C=O)N[C@H]C)CCCC4)))))))C5
|
[C][=C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][S][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][Ring1][=C]
|
C=CC[C@@H](C)C3=O.[C@H]16CC[C@@H]7C1.C18CCC1.C47=O.[C@H]58C.N36.N45
|
Nc1nonc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)NOCCC(F)F
|
Ncnonc5C=O)NCC[C@H]O)C[C@@H]6C=O)NOCCCF)F
|
[N][C][=N][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][O][C][C][C][Branch1][C][F][F]
|
N12CC[C@H](O)C[C@@H]14.Nc1nonc15.C4(=O)NO3.C3CC(F)F.C25=O
|
CN(CCNC(=O)[C@]1(C#N)CCCO1)C(=O)CCCOCc1ccccc1
|
CNCCNC=O)[C@]C#N))CCCO5)))))))))C=O)CCCOCcccccc6
|
[C][N][Branch2][Ring1][Ring1][C][C][N][C][=Branch1][C][=O][C@][Branch1][Ring1][C][#N][C][C][C][O][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@@]18(C#N)CCCO1.C3(=O)CCC4.c19ccccc1.CN36.C6C7.C28=O.N27.O45.C59
|
Cc1ccnc2c(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4NC(=O)Cc3ccccc3)cnn12
|
CcccnccC=O)NC[C@H]CC[C@@H]6[C@@H]5NC=O)Ccccccc6)))))))))))))))))cnn95
|
[C][C][=C][C][=N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][N][Ring2][Ring1][Branch2]
|
Cc1ccnc2c8cnn12.N15C[C@H]2CC[C@@H]1[C@@H]27.c19ccccc1.C6(=O)C9.C58=O.N67
|
CCS[C@H](C)C(=O)NCC1(C(=O)Nc2cc(C)cnc2C)CC=CC1
|
CCS[C@H]C)C=O)NCCC=O)NcccC)cnc6C)))))))))CC=CC5
|
[C][C][S][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][N][=C][Ring1][#Branch1][C][C][C][=C][C][Ring1][S]
|
c18cc(C)cnc1C.C19%10CC=CC1.[C@@H]7(C)C3=O.C49=O.CC6.S67.N35.C5%10.N48
|
CC[C@H](C#N)C(=O)N1CC[C@](O)(CCNC(=O)c2cc(N3CCCC3)ncn2)C1
|
CC[C@H]C#N))C=O)NCC[C@]O)CCNC=O)cccNCCCC5)))))ncn6))))))))))C5
|
[C][C][C@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][O][Branch2][Ring1][=Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][C][=N][Ring1][O][C][Ring2][Ring1][=Branch1]
|
CC[C@H](C#N)C4=O.N14CC[C@@]9(O)C1.c18cc7ncn1.N17CCCC1.C9C6.C58=O.N56
|
CC(C)(F)C(=O)N[C@H]1C[C@@H](NCc2ccc(Cl)s2)C12CCC2
|
CCC)F)C=O)N[C@H]C[C@@H]NCccccCl)s5)))))))C4CCC4
|
[C][C][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch1][=N][N][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][N][C][C][C][Ring1][Ring2]
|
[C@H]15C[C@@H]6C12CCC2.CC(C)(F)C3=O.c17ccc(Cl)s1.N35.N46.C47
|
C#C[C@@H]1CN(C(=O)C23[C@H](NC(=O)C4CCN(C)CC4)C4C[C@@H]2[C@@H]3C4)CCO1
|
C#C[C@@H]CNC=O)C[C@H]NC=O)CCCNC)CC6))))))))CC[C@@H]5[C@@H]6C5))))))))CCO6
|
[C][#C][C@@H1][C][N][Branch2][Ring2][Ring2][C][=Branch1][C][=O][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][C][C@@H1][Ring1][#C][C@@H1][Ring1][S][C][Ring1][Branch1][C][C][O][Ring2][Ring1][=Branch2]
|
C#C[C@@H]1CN5CCO1.C128[C@H]7C3C[C@@H]1[C@@H]2C3.C19CCN(C)CC1.C58=O.C69=O.N67
|
C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H]2C[C@H]1N(C(=O)c1ccc(OC)c(O)c1)C2
|
C=C[C@@H]CC))CC=O)N[C@H]C[C@@H]C[C@H]5NC=O)ccccOC))cO)c6)))))))C5
|
[C][=C][C@@H1][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][C][O][=C][Ring1][=Branch2][C][Ring1][S]
|
C=C[C@@H](CC)CC3=O.[C@H]16C[C@@H]2C[C@H]1N4C2.c17ccc5c(O)c1.C47=O.N36.O5C
|
C[C@H]1CCSCCN1C(=O)CC[C@H]1CC[C@@H](NC(=O)C(=O)N(C)C)C1
|
C[C@H]CCSCCN7C=O)CC[C@H]CC[C@@H]NC=O)C=O)NC)C)))))C5
|
[C][C@H1][C][C][S][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C@H1][C][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N]
|
C[C@H]1CCSCCN12.[C@H]16CC[C@@H]5C1.C2(=O)CC6.C3(=O)C4=O.N4(C)C.N35
|
Cc1ncsc1C(=O)N(C)CCCCCC(=O)NC12CCC(CC1)C2
|
Ccncsc5C=O)NC)CCCCCC=O)NCCCCCC6))C5
|
[C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][Ring1][#Branch1]
|
C5CCCCC4=O.C126CCC(CC1)C2.Cc1ncsc17.C37=O.N35C.N46
|
CC1=NO[C@@H](C(=O)N(C)CC[C@H](NC(=O)c2cn(CCF)nn2)C(C)(C)C)C1
|
CC=NO[C@@H]C=O)NC)CC[C@H]NC=O)ccnCCF)))nn5)))))))CC)C)C)))))))C5
|
[C][C][=N][O][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][Ring2][C][C][F][N][=N][Ring1][Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][O]
|
C5C[C@H]6C(C)(C)C.CC1=NO[C@@H]7C1.c18cn9nn1.C37=O.N35C.C48=O.C9CF.N46
|
CCO[C@@H](C(=O)N1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)c1cc(F)n[nH]1)C2)C1CCC1
|
CCO[C@@H]C=O)N[C@@H]CC[C@H]5C[C@@H]CNC=O)cccF)n[nH]5))))))))C7)))))))))CCCC4
|
[C][C][O][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=N][NH1][Ring1][=Branch1][C][Ring1][P][C][C][C][C][Ring1][Ring2]
|
N13[C@@H]2CC[C@H]1C[C@@H]%10C2.c18cc(F)n[nH]1.[C@@H]69C3=O.C19CCC1.C48=O.CC5.O56.C7%10.N47
|
COCCO[C@H](C)C(=O)N(CCNC(=O)c1cc(-c2cnn(C)c2)on1)C1CC1
|
COCCO[C@H]C)C=O)NCCNC=O)ccc-ccnnC)c5)))))on5)))))))))CCC3
|
[C][O][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][N][=Ring1][O][C][C][C][Ring1][Ring1]
|
c1%12cc4on1.c14cnn(C)c1.[C@@H]8(C)C3=O.C6C7.N39%11.C9C%10.C5%12=O.C1%11CC1.CO6.O78.N5%10
|
CC(=O)N[C@H](CC1CCC1)C(=O)N1CC[C@H](C2(NC(=O)Cc3cscn3)CC2)C1
|
CC=O)N[C@H]CCCCC4)))))C=O)NCC[C@H]CNC=O)Cccscn5))))))))CC3)))C5
|
[C][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch1][C][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Ring1][N][C][Ring1][P]
|
N15CC[C@H](C28CC2)C1.[C@@H]7(C%10)C5=O.c19cscn1.C1%10CCC1.C6(=O)C9.CC4=O.N47.N68
|
COC(=O)C[C@@H](O)CNC(=O)[C@@H]1N(C(=O)CCC(C)(C)C#N)CCC1(C)C
|
COC=O)C[C@@H]O)CNC=O)[C@@H]NC=O)CCCC)C)C#N))))))CCC5C)C
|
[C][O][C][=Branch1][C][=O][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@@H1][N][Branch1][S][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][C][C][Ring1][=C][Branch1][C][C][C]
|
C4(=O)CCC(C)(C)C#N.[C@@H]16N4CCC1(C)C.C2(=O)C[C@@H](O)C5.C36=O.CO2.N35
|
CN(C)[C@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](NC(=O)[C@@H]3CCc4nccn4CC3)C2)CC1
|
CNC)[C@H]CC[C@H]C=O)N[C@H]C[C@@H]NC=O)[C@@H]CCcnccn5CC%10))))))))))))C4))))))CC6
|
[C][N][Branch1][C][C][C@H1][C][C][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][C][=N][C][=C][N][Ring1][Branch1][C][C][Ring1][#Branch2][C][Ring1][P][C][C][Ring2][Ring1][#Branch2]
|
[C@@H]1%11CCc2nccn2CC1.[C@H]17CC[C@H]%10CC1.[C@H]18C[C@@H]9C1.CN7C.C5%10=O.C6%11=O.N58.N69
|
C=CCCCCCC(=O)NC1(CCC(=O)N(C)C[C@@H](O)CF)CCCC1
|
C=CCCCCCC=O)NCCCC=O)NC)C[C@@H]O)CF))))))))CCCC5
|
[C][=C][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][F][C][C][C][C][Ring1][S]
|
C=CCCCCCC2=O.C146CCCC1.C6CC3=O.C5[C@@H](O)CF.N35C.N24
|
COC1(CNC(=O)[C@]2(NC(=O)c3cc(C)cs3)CCC(C)(C)C2)CC1
|
COCCNC=O)[C@]NC=O)cccC)cs5)))))))CCCC)C)C5))))))))CC3
|
[C][O][C][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][S][C][C][Ring2][Ring1][#Branch1]
|
[C@]18%10CCC(C)(C)C1.c19cc(C)cs1.C16%11CC1.C4%10=O.C59=O.CO6.C7%11.N47.N58
|
CO[C@@H]1CN(C(=O)C[C@H]2COCCO2)C[C@H]1NC(=O)C=CC1CC1
|
CO[C@@H]CNC=O)C[C@H]COCCO6))))))))C[C@H]5NC=O)C=CCCC3
|
[C][O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C@H1][C][O][C][C][O][Ring1][=Branch1][C][C@H1][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring1]
|
[C@@H]15CN3C[C@H]16.[C@H]18COCCO1.C3(=O)C8.C4(=O)C=7.C=7C1CC1.CO5.N46
|
Cc1noc(CCC(=O)N[C@H]2C[C@@H]2CNC(=O)CS(=O)(=O)C(C)C)n1
|
CcnocCCC=O)N[C@H]C[C@@H]3CNC=O)CS=O)=O)CC)C))))))))))))))n5
|
[C][C][=N][O][C][Branch2][Ring1][S][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch2]
|
C4(=O)CS(=O)(=O)C(C)C.Cc1noc7n1.C7CC3=O.[C@H]16C[C@@H]18.N36.C58.N45
|
Cn1nc(C(=O)N2C[C@@H](NC(=O)c3cnsc3)CC23CCCCC3)c2c1CCC2
|
CnncC=O)NC[C@@H]NC=O)ccnsc5)))))))CC5CCCCC6)))))))))))cc5CCC5
|
[C][N][N][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][=N][S][C][=Ring1][Branch1][C][C][Ring1][=N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2][C][C][C][Ring1][Branch1]
|
N14C[C@@H]6CC12CCCCC2.Cn1nc7c2c1CCC2.c18cnsc1.C47=O.C58=O.N56
|
CCn1cc(C(=O)NC[C@]2(C)CCCN(C(=O)C=C(C)c3ccsc3)C2)nn1
|
CCnccC=O)NC[C@]C)CCCNC=O)C=CC)cccsc5))))))))C6)))))))))nn5
|
[C][C][N][C][=C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][P][N][=N][Ring2][Ring1][#Branch2]
|
[C@@]1%10(C)CCCN5C1.C=8(C)c1ccsc1.n19cc7nn1.C5(=O)C=8.C47=O.CC9.N46.C6%10
|
C[C@@H]1C[C@H]1C(=O)NCC(C)(C)CNC(=O)c1cc(F)c(Br)cc1O
|
C[C@@H]C[C@H]3C=O)NCCC)C)CNC=O)cccF)cBr)cc6O
|
[C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][Br][C][=C][Ring1][Branch2][O]
|
c17cc(F)c(Br)cc1O.C4C(C)(C)C5.C[C@@H]1C[C@H]16.C26=O.C37=O.N24.N35
|
COc1noc(C)c1C(=O)N[C@@H]1CCCc2cc(CNC(=O)[C@H]3CCO3)ccc21
|
COcnocC)c5C=O)N[C@@H]CCCcccCNC=O)[C@H]CCO4)))))))ccc6%10
|
[C][O][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][=C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C@H1][C][C][O][Ring1][Ring2][=C][C][=C][Ring1][=C][Ring2][Ring1][C]
|
N4[C@@H]1CCCc2cc%10ccc21.c16noc(C)c19.[C@H]18CCO1.C49=O.C58=O.CO6.C7%10.N57
|
COC(=O)[C@]12C[C@H]1CN(C(=O)[C@H]1[C@H]3C[C@@H]4[C@H]1[C@@H]4[C@H]3NC(=O)C1=C(Cl)CCCC1)C2
|
COC=O)[C@]C[C@H]3CNC=O)[C@H][C@H]C[C@@H][C@H]5[C@@H]3[C@H]6NC=O)C=CCl)CCCC6))))))))))))))))C6
|
[C][O][C][=Branch1][C][=O][C@][C][C@H1][Ring1][Ring1][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][C@H1][C][C@@H1][C@H1][Ring1][Branch1][C@@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2]
|
C7(=O)C1=C(Cl)CCCC1.[C@H]1%10[C@H]2C[C@H]3[C@@H]([C@H]28)[C@@H]13.[C@]129C[C@H]1CN6C2.C59=O.C6%10=O.CO5.N78
|
CCCC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cnnn2C)[C@@H](c2ccncc2)C1
|
CCCC=O)NCCNC=O)[C@@H]C[C@H]3ccnnn5C))))))))))[C@@H]cccncc6))))))C6
|
[C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][N][=N][N][Ring1][Branch1][C][C@@H1][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1]
|
N13CCN4[C@@H]6C1.c17cnnn1C.c16ccncc1.CCCC3=O.[C@@H]15C[C@H]17.C45=O
|
Cc1nc(C)c(C(=O)N2CCN(C)[C@H](CNC(=O)[C@H]3CCCC(C)(C)CC3)C2)o1
|
CcncC)cC=O)NCCNC)[C@H]CNC=O)[C@H]CCCCC)C)CC7))))))))))C6)))))))o5
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][N]
|
[C@H]18CCCC(C)(C)CC1.N14CCN(C)[C@H]9C1.Cc1nc(C)c7o1.C47=O.C58=O.C69.N56
|
C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NC(C)(C)c1ncc(O)cn1
|
C[C@H]NS=O)=O)cccccc6CF)F)F))))))))))C=O)NCC)C)cnccO)cn6
|
[C][C@H1][Branch2][Ring1][=Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][Branch1][C][O][C][=N][Ring1][#Branch1]
|
S5(=O)(=O)c1ccccc17.c16ncc(O)cn1.C[C@H]3C2=O.C7(F)(F)F.C46(C)C.N35.N24
|
CCC1(C(=O)N[C@H]2CNC(=O)C23CC3)CN(C(=O)[C@H](C)C2CCCC2)C1
|
CCCC=O)N[C@H]CNC=O)C5CC3)))))))))CNC=O)[C@H]C)CCCCC5)))))))C4
|
[C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][C][Ring1][Ring1][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Branch2]
|
[C@H]16CNC(=O)C12CC2.C178CN5C1.C5(=O)[C@@H]9C.C19CCCC1.C47=O.CC8.N46
|
O=C(NCc1ccnc(Cl)c1F)N1CC[C@@H](Cn2ccnn2)C1
|
O=CNCcccncCl)c6F)))))))))NCC[C@@H]Cnccnn5))))))C5
|
[O][=C][Branch1][#C][N][C][C][=C][C][=N][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][N][C][C][C@@H1][Branch1][=Branch2][C][N][C][=C][N][=N][Ring1][Branch1][C][Ring1][O]
|
c18ccnc(Cl)c1F.N14CC[C@@H]7C1.n16ccnn1.O=C34.N35.C58.C67
|
CCOc1cc(C(=O)NC[C@H](C)CNC(=O)c2cnn(C(C)C)c2C)on1
|
CCOcccC=O)NC[C@H]C)CNC=O)ccnnCC)C))c5C)))))))))))))on5
|
[C][C][O][C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][=Ring1][Branch2][C][O][N][=Ring2][Ring1][Branch2]
|
c1%10cnn%11c1C.c16cc9on1.C7[C@H](C)C8.C39=O.C4%10=O.C%11(C)C.CC5.O56.N37.N48
|
CC(C)[C@@]12CC[C@H](NC(=O)Nc3ccc(C4CC4)cn3)[C@@H]1C2
|
CCC)[C@@]CC[C@H]NC=O)NccccCCC3)))cn6)))))))))[C@@H]5C6
|
[C][C][Branch1][C][C][C@@][C][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2][C@@H1][Ring2][Ring1][C][C][Ring2][Ring1][Ring1]
|
[C@@]129CC[C@H]8[C@@H]1C2.c17ccc%10cn1.CC9C.C56=O.C1%10CC1.N58.N67
|
CN(C)CCCC(=O)NC(C)(C)CN(C)C(=O)CS(F)(F)(F)(F)F
|
CNC)CCCC=O)NCC)C)CNC)C=O)CSF)F)F)F)F
|
[C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][S][Branch1][C][F][Branch1][C][F][Branch1][C][F][Branch1][C][F][F]
|
C2(=O)CS(F)(F)(F)(F)F.C3CCC1=O.C4(C)(C)C5.CN3C.N25C.N14
|
CCn1nncc1C(=O)NC1(COC)CCN(C(=O)CCC2CC(F)(F)C2)CC1
|
CCnnncc5C=O)NCCOC)))CCNC=O)CCCCCF)F)C4)))))))CC6
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring2][C][O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]
|
C169CCN4CC1.n18nncc17.C1%10CC(F)(F)C1.C4(=O)CC%10.C37=O.CC8.N36.C59.O5C
|
CC(C)c1ccc(CCC(=O)N(C)C[C@@H](O)CNC(=O)[C@H](C(C)C)N(C)C)cc1
|
CCC)ccccCCC=O)NC)C[C@@H]O)CNC=O)[C@H]CC)C))NC)C))))))))))))cc6
|
[C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][C][=C][Ring2][Ring1][#Branch2]
|
c17ccc8cc1.C3(=O)[C@@H]6C(C)C.C8CC2=O.C4[C@@H](O)C5.CC7C.N24C.N6(C)C.N35
|
C=CCNC(=O)[C@@H](C)N1CCC2(CC1)CN(C(=O)C[C@](C)(O)C1CC1)C2
|
C=CCNC=O)[C@@H]C)NCCCCC6))CNC=O)C[C@]C)O)CCC3))))))C4
|
[C][=C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@][Branch1][C][C][Branch1][C][O][C][C][C][Ring1][Ring1][C][Ring1][#C]
|
N16CCC2(CC1)CN4C2.C4(=O)C[C@]7(C)O.C3(=O)[C@H]6C.C=CC5.C17CC1.N35
|
C/C(=C\C(C)(C)C)C(=O)N1CCCC[C@H]1CCN(C)C(=O)C1(O)CC(CF)C1
|
C/C=C\CC)C)C)))C=O)NCCCC[C@H]6CCNC)C=O)CO)CCCF))C4
|
[C][/C][=Branch1][#Branch2][=C][\C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Branch1][Ring1][C][F][C][Ring1][#Branch1]
|
N12CCCC[C@H]17.C15(O)CC8C1.CC=6C2=O.C=6C(C)(C)C.C7C4.N34C.C35=O.C8F
|
CCCC[C@@H](CNC(=O)[C@H](C)n1ccnc1)NC(=O)CCc1ncc[nH]1
|
CCCC[C@@H]CNC=O)[C@H]C)nccnc5)))))))))NC=O)CCcncc[nH]5
|
[C][C][C][C][C@@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=C][N][=C][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][=N][C][=C][NH1][Ring1][Branch1]
|
CCCC[C@H]4C5.C2(=O)[C@@H]6C.n16ccnc1.C3(=O)CC7.c17ncc[nH]1.N25.N34
|
Cc1cc([C@@H](C(=O)NC(C)(C)C)N2C[C@@H](Cc3ccccc3)[C@@H](F)C2)ccc1Br
|
Cccc[C@@H]C=O)NCC)C)C))))NC[C@@H]Ccccccc6)))))))[C@@H]F)C5))))))ccc6Br
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C@@H1][Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][N][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch1][C][F][C][Ring1][=N][=C][C][=C][Ring2][Ring1][O][Br]
|
Cc1cc8ccc1Br.N15C[C@@H]7[C@@H](F)C1.c19ccccc1.[C@H]58C4=O.C6(C)(C)C.N46.C79
|
CC[C@]1(C)C=C(C(=O)NC[C@H]2CCN(C(=O)c3ccc(=O)n(O)c3)C2)C1
|
CC[C@]C)C=CC=O)NC[C@H]CCNC=O)cccc=O)nO)c6)))))))C5))))))))C4
|
[C][C][C@][Branch1][C][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][O][C][=Ring1][Branch2][C][Ring1][#C][C][Ring2][Ring1][Branch2]
|
[C@@]18(C)C=C(C4=O)C1.c17ccc(=O)n(O)c1.[C@H]19CCN5C1.C57=O.CC8.N46.C69
|
CCn1nncc1C(=O)N1CCC[C@@]1(C(=O)NCc1ccc(C)nn1)C(C)C
|
CCnnncc5C=O)NCCC[C@@]5C=O)NCccccC)nn6)))))))))CC)C
|
[C][C][N][N][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][C][N][=N][Ring1][#Branch1][C][Branch1][C][C][C]
|
N12CCC[C@@]158.c19ccc(C)nn1.n17nncc16.C26=O.C35=O.C8(C)C.CC7.N34.C49
|
CCc1nc[nH]c1C(=O)N[C@H](CN=c1cc(Cl)nc(-c2ccccn2)[nH]1)C1CC1
|
CCcnc[nH]c5C=O)N[C@H]CN=cccCl)nc-cccccn6))))))[nH]6))))))))CCC3
|
[C][C][C][N][=C][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Branch2][C][N][=C][C][=C][Branch1][C][Cl][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring1][=N][C][C][C][Ring1][Ring1]
|
[C@H]47CN=c1cc(Cl)nc8[nH]1.c16nc[nH]c15.c18ccccn1.C35=O.C17CC1.CC6.N34
|
CC=C(C)C(=O)N1CCN(C(=O)CNC(=O)CC2CCCCC2)[C@@H](CCO)C1
|
CC=CC)C=O)NCCNC=O)CNC=O)CCCCCCC6)))))))))))[C@@H]CCO)))C6
|
[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][C][O][C][Ring2][Ring1][=Branch1]
|
N13CCN4[C@@H]8C1.C19CCCCC1.C=7(C)C3=O.C4(=O)C6.C5(=O)C9.C8CO.CC=7.N56
|
CSCCC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)N2C(=O)[C@H](C)N(C)C
|
CSCCC=O)N[C@H]C[C@H]COC[C@@H]C8)N6C=O)[C@H]C)NC)C
|
[C][S][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][O][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][Branch1][C][C][C]
|
[C@H]17C[C@H]2COC[C@@H](C1)N24.C6CC3=O.C4(=O)[C@@H]5C.N5(C)C.CS6.N37
|
O=C(NCc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H](F)C1CCNCC1
|
O=CNCcccCl)ccCl)c6))))))))C=O)NC[C@@H]F)CCCNCC6
|
[O][=C][Branch1][P][N][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C][C][N][C][C][Ring1][=Branch1]
|
c17cc(Cl)cc(Cl)c1.C16CCNCC1.O=C2C3=O.C5[C@H]6F.N24.C47.N35
|
COc1ccc(-n2nc(C(=O)N(C)C3CN(C(=O)CCSC)C3)cc2C)cc1
|
COcccc-nncC=O)NC)CCNC=O)CCSC)))))C4))))))cc5C))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][Branch1][N][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][S][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][C][=C][Ring2][Ring1][#Branch2]
|
c16ccc%10cc1.n1%10nc9cc1C.C18CN5C1.C5(=O)CC7.C49=O.N48C.CO6.S7C
|
Cc1oc(NC(=O)NC23CC(CO)(C2)OC32CCOCC2)c(C#N)c1C
|
CcocNC=O)NCCCCO))C4)OC5CCOCC6)))))))))))))cC#N))c5C
|
[C][C][O][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][O][Branch1][Ring2][C][Ring1][=Branch1][O][C][Ring1][Branch2][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][Branch2][C]
|
C127CC8(C1)OC21CCOCC1.Cc1oc6c(C#N)c1C.C45=O.N46.N57.C8O
|
CCNC(=O)CCCC(=O)N1CCC[C@](F)(CNC(=O)[C@@]23CCC[C@@H](CO2)C3)C1
|
CCNC=O)CCCC=O)NCCC[C@]F)CNC=O)[C@@]CCC[C@@H]CO7))C6)))))))))C6
|
[C][C][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][F][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@][C][C][C][C@@H1][Branch1][Branch1][C][O][Ring1][#Branch1][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
C4(=O)CCCC5=O.N15CCC[C@@]%10(F)C1.[C@@]129CCC[C@@H](CO1)C2.C69=O.CC7.N47.C8%10.N68
|
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