SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C[C@@H](CCNC(=O)[C@H]1CCCO1)N(C)C(=O)CCOc1ccccc1O
|
C[C@@H]CCNC=O)[C@H]CCCO5)))))))))NC)C=O)CCOcccccc6O
|
[C][C@@H1][Branch1][#C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][O][Ring1][Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O]
|
c15ccccc1O.C[C@H]6CC7.[C@H]18CCCO1.C3(=O)CC4.C28=O.N36C.N27.O45
|
N#Cc1cnc(NC(=O)C[C@H]2C[C@H](NC(=O)c3cc4ncccc4[nH]3)C2)c(Br)c1
|
N#CccncNC=O)C[C@H]C[C@H]NC=O)cccncccc6[nH]9)))))))))))C4)))))))cBr)c6
|
[N][#C][C][=C][N][=C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C@H1][C][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][S][C][Branch1][C][Br][=C][Ring2][Ring1][O]
|
N#Cc1cnc7c(Br)c1.c19cc2ncccc2[nH]1.[C@H]1%10C[C@H]8C1.C5(=O)C%10.C69=O.N57.N68
|
C[C@H](O)C(=O)N1CC[C@@H](n2cc(CNC(=O)CNS(C)(=O)=O)nn2)C1
|
C[C@H]O)C=O)NCC[C@@H]nccCNC=O)CNSC)=O)=O)))))))nn5)))))C5
|
[C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=C][Branch1][P][C][N][C][=Branch1][C][=O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][=N][Ring1][#C][C][Ring2][Ring1][Ring2]
|
N13CC[C@@H]9C1.n19cc8nn1.C[C@H](O)C3=O.C4(=O)C6.S7(C)(=O)=O.C58.N45.N67
|
CC[C@H](NC(=O)c1coc(CNC(=O)[C@H](CO)NC(N)=O)c1)[C@@H](C)CN(C)C
|
CC[C@H]NC=O)ccocCNC=O)[C@H]CO))NCN)=O)))))))c5)))))))[C@@H]C)CNC)C
|
[C][C][C@H1][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][O][N][C][Branch1][C][N][=O][=C][Ring1][S][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C]
|
CC[C@H]5[C@@H](C)C8.c19coc%10c1.C3(=O)[C@@H]7CO.C29=O.C4(N)=O.N8(C)C.N25.C6%10.N36.N47
|
O=C(CCOc1ccc(Cl)c(Cl)c1)NCCCCNC(=O)[C@@H]1COCCO1
|
O=CCCOccccCl)cCl)c6)))))))))NCCCCNC=O)[C@@H]COCCO6
|
[O][=C][Branch2][Ring1][C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][O][C][C][O][Ring1][=Branch1]
|
c15ccc(Cl)c(Cl)c1.[C@@H]18COCCO1.O=C2CC4.C6CCC7.C38=O.O45.N26.N37
|
Cc1cc(Cl)c(N)c(C(=O)NCCO[C@H]2CCN(C(=O)[C@]3(C)C=CCCC3)C2)c1
|
CcccCl)cN)cC=O)NCCO[C@H]CCNC=O)[C@]C)C=CCCC6)))))))C5))))))))))c6
|
[C][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@][Branch1][C][C][C][=C][C][C][C][Ring1][#Branch1][C][Ring1][=C][=C][Ring2][Ring1][N]
|
Cc1cc%10c(N)c(Cl)c1.[C@@]19(C)C=CCCC1.[C@H]17CCN5C1.C4%10=O.C8C6.C59=O.N48.O67
|
C[C@H]1CN(C(=O)CCc2cnn(C)c2)C[C@@H](C(=O)N2CCSC[C@@H]2C)O1
|
C[C@H]CNC=O)CCccnnC)c5))))))))C[C@@H]C=O)NCCSC[C@@H]6C))))))))O6
|
[C][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C@@H1][Branch1][=C][C][=Branch1][C][=O][N][C][C][S][C][C@@H1][Ring1][=Branch1][C][O][Ring2][Ring1][=Branch2]
|
C[C@H]1CN3C[C@@H]5O1.N14CCSC[C@@H]1C.c16cnn(C)c1.C3(=O)CC6.C45=O
|
C[C@H](Cc1ccnn1C)C(=O)N1C[C@@H]2C[C@]2(NC(=O)c2ccc([N+](=O)[O-])cc2)C1
|
C[C@H]Ccccnn5C)))))))C=O)NC[C@@H]C[C@]3NC=O)cccc[N+]=O)[O-]))cc6))))))))C6
|
[C][C@H1][Branch1][#Branch2][C][C][=C][C][=N][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C@][Ring1][Ring1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
c16ccc([N+](=O)[O-])cc1.N13C[C@@H]2C[C@]25C1.C[C@H](C7)C3=O.c17ccnn1C.C46=O.N45
|
CC(C)N(C)CCCC(=O)N1CC[C@H]2CN(C(=O)c3ncccc3N)[C@H]2C1
|
CCC)NC)CCCC=O)NCC[C@H]CNC=O)cncccc6N))))))))[C@H]4C8
|
[C][C][Branch1][C][C][N][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C@H1][Ring1][=N][C][Ring1][P]
|
N14CC[C@H]2CN5[C@H]2C1.c18ncccc1N.C7CCC4=O.CC6C.N67C.C58=O
|
Cc1[nH]c2c(C(=O)NCC[C@@H](C)NC(=O)C3(C)C[C@@H]4C[C@H]4C3)cccc2c1C
|
Cc[nH]ccC=O)NCC[C@@H]C)NC=O)CC)C[C@@H]C[C@H]3C6)))))))))))))cccc6c9C
|
[C][C][NH1][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][Ring1][#Branch1][C][=C][C][=C][Ring2][Ring1][#Branch1][C][=Ring2][Ring1][#Branch2][C]
|
Cc1[nH]c2c%10cccc2c1C.C19(C)C[C@@H]2C[C@H]2C1.C7C[C@H]8C.C5%10=O.C69=O.N57.N68
|
CC1=NO[C@@](C)(CNc2cc(N(C)CCN(C)C)nc(C(C)C)n2)C1
|
CC=NO[C@@]C)CNcccNC)CCNC)C)))))ncCC)C))n6))))))))C5
|
[C][C][=N][O][C@@][Branch1][C][C][Branch2][Ring1][#C][C][N][C][=C][C][Branch1][N][N][Branch1][C][C][C][C][N][Branch1][C][C][C][=N][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][S][C][Ring2][Ring1][Branch2]
|
c16cc7nc9n1.CC1=NO[C@]8(C)C1.N47C.C4C5.N5(C)C.C9(C)C.C38.N36
|
CNC(=O)C[C@H](C)CN[C@@H](c1ccsc1S(N)(=O)=O)c1nnnn1CC(F)F
|
CNC=O)C[C@H]C)CN[C@@H]cccsc5SN)=O)=O)))))))cnnnn5CCF)F
|
[C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][N][C@@H1][Branch1][S][C][C][=C][S][C][=Ring1][Branch1][S][Branch1][C][N][=Branch1][C][=O][=O][C][=N][N][=N][N][Ring1][Branch1][C][C][Branch1][C][F][F]
|
c17ccsc1S(N)(=O)=O.C2(=O)C[C@H](C)C3.c16nnnn15.C5C(F)F.[C@@H]467.CN2.N34
|
CCCCCCCC(=O)N1CCC[C@@H](NC(=O)CN2Cc3ccccc3C2)[C@H]1C
|
CCCCCCCC=O)NCCC[C@@H]NC=O)CNCcccccc6C9))))))))))))[C@H]6C
|
[C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C]
|
CCCCCCCC4=O.N16Cc2ccccc2C1.N14CCC[C@@H]7[C@H]1C.C5(=O)C6.N57
|
CC[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1C[C@@H](C(=O)N(CC)CC(=O)N(C)C)C1
|
CC[C@@H]OCC[C@@H]5C=O)NC[C@H]C[C@@H]C=O)NCC))CC=O)NC)C))))))C4
|
[C][C][C@@H1][O][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][#C]
|
[C@@H]1%11OCC[C@@H]19.[C@H]13C[C@@H]%10C1.C8C5=O.C29=O.C4%10=O.N478.N5(C)C.CC%11.N26.C63.C7C
|
CCCCOCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(N)c(N)n1
|
CCCCOCC=O)NC[C@H]CC[C@@H]C7)N5C=O)ccccN)cN)n6
|
[C][C][C][C][O][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=N][Ring1][Branch2]
|
N13C[C@H]2CC[C@@H](C1)N24.c17ccc(N)c(N)n1.CCCC5.C6C3=O.C47=O.O56
|
O=C(C[C@@H]1CC[C@@H](C2CC2)O1)NC[C@H]1CCN1C(=O)c1cccc2c1CCCN2
|
O=CC[C@@H]CC[C@@H]CCC3)))O5))))))NC[C@H]CCN4C=O)cccccc6CCCN6
|
[O][=C][Branch1][S][C][C@@H1][C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][O][Ring1][Branch2][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=Branch1]
|
c16cccc2c1CCCN2.[C@@H]17CC[C@@H]9O1.[C@H]18CCN14.O=C3C7.C19CC1.C46=O.N35.C58
|
CC1(C)C[C@@]1(NC(=O)C1CCC(CO)CC1)C(=O)Nc1ccc(CCF)cc1
|
CCC)C[C@@]3NC=O)CCCCCO))CC6))))))))C=O)NccccCCF)))cc6
|
[C][C][Branch1][C][C][C][C@@][Ring1][Ring2][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Ring1][C][O][C][C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][F][C][=C][Ring1][=Branch2]
|
C16CCC8CC1.c15ccc9cc1.CC1(C)C[C@@]147.C26=O.C37=O.C9CF.N24.C8O.N35
|
CCCOC(C)(C)C(=O)N1C[C@H]2C[C@@H](C1)[C@H](NC(=O)CCCNC(=O)OC)C2
|
CCCOCC)C)C=O)NC[C@H]C[C@@H]C6)[C@H]NC=O)CCCNC=O)OC)))))))))C5
|
[C][C][C][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][O][C][C][Ring1][P]
|
N14C[C@H]2C[C@@H](C1)[C@H]%10C2.C8(C)(C)C4=O.C5(=O)CCC9.CCC7.C36=O.O78.N5%10.N69.O3C
|
O=C(C[C@]12CCC[C@H]1C2)NCc1nc2c(s1)CN(C(=O)COC(F)(F)F)CC2
|
O=CC[C@]CCC[C@H]5C6)))))))NCcnccs5)CNC=O)COCF)F)F)))))CC6
|
[O][=C][Branch1][N][C][C@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][N][C][C][=N][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C]
|
c17nc2c(s1)CN4CC2.[C@]128CCC[C@H]1C2.O5C(F)(F)F.O=C3C8.C4(=O)C5.N36.C67
|
CNS(=O)(=O)CCC(=O)N1CCN(CCN(C)C(=O)[C@]2(C)CCC(=O)N2)CC1
|
CNS=O)=O)CCC=O)NCCNCCNC)C=O)[C@]C)CCC=O)N5)))))))))CC6
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch2][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1]
|
S7(=O)(=O)CCC3=O.N13CCN5CC1.[C@@]18(C)CCC(=O)N1.C5C6.N46C.C48=O.CN7
|
Cc1ccc(NC(=O)c2c(F)cccc2Nc2ncnc3cc[nH]c23)c(Cl)c1O
|
CccccNC=O)ccF)cccc6Ncncnccc[nH]c95))))))))))))))))))cCl)c6O
|
[C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][C][=N][C][=N][C][C][=C][NH1][C][Ring1][=Branch2][=Ring1][Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][O][O]
|
Cc1ccc6c(Cl)c1O.c15ncnc2cc[nH]c12.c18c7cccc1F.C48=O.N46.N57
|
C=CCC(F)(F)C(=O)NCC12CC(NC(=O)CCC3CCCC3)(CCO1)C2
|
C=CCCF)F)C=O)NCCCCNC=O)CCCCCCC5)))))))))CCO6)))C4
|
[C][=C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1][Branch1][=Branch1][C][C][O][Ring1][S][C][Ring1][P]
|
C=CCC(F)(F)C4=O.C128CC7(CCO1)C2.C5(=O)CC9.C19CCCC1.N46.C68.N57
|
C=CCOCCCC(=O)NCC(C)(C)CCNC(=O)c1cc(Cl)ccc1OC
|
C=CCOCCCC=O)NCCC)C)CCNC=O)cccCl)ccc6OC
|
[C][=C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C]
|
c19cc(Cl)ccc16.C7C(C)(C)CC8.C5CCC2=O.C=CC4.C39=O.O45.N27.N38.O6C
|
CC(C)(CN=c1nc(N2CCc3c(Br)cccc3C2)c2c([nH]1)CSC2)C(N)=O
|
CCC)CN=cncNCCccBr)cccc6C%10))))))))))cc[nH]6)CSC5))))))))))CN)=O
|
[C][C][Branch1][C][C][Branch2][Ring2][=Branch1][C][N][=C][N][=C][Branch2][Ring1][C][N][C][C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][C][=C][Branch1][Ring2][NH1][Ring1][P][C][S][C][Ring1][=Branch1][C][Branch1][C][N][=O]
|
CC(C)(CN=c1nc4c2c([nH]1)CSC2)C(N)=O.N14CCc2c(Br)cccc2C1
|
C[C@H](CNC(=O)[C@H](C)Cc1ccnn1C)NC(=O)C(C)(C)CO
|
C[C@H]CNC=O)[C@H]C)Ccccnn5C)))))))))))NC=O)CC)C)CO
|
[C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][C][=N][N][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][O]
|
C3(=O)C(C)(C)CO.C2(=O)[C@H](C)C6.c16ccnn1C.C[C@@H]4C5.N25.N34
|
CC[C@@H](F)C(=O)N1CC=C[C@@H]1CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1
|
CC[C@@H]F)C=O)NCC=C[C@@H]5CNC=O)CNC=O)ccccSN)=O)=O))cc6
|
[C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][=C][C@@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2]
|
c17ccc(S(N)(=O)=O)cc1.CC[C@@H](F)C2=O.N12CC=C[C@@H]18.C3(=O)C6.C47=O.C58.N35.N46
|
COC1CC(CNC(=O)C2C[C@@H](C)C[C@H](C)C2)(NC(=O)c2c[nH]cc(C)c2=O)C1
|
COCCCCNC=O)CC[C@@H]C)C[C@H]C)C6)))))))))NC=O)cc[nH]ccC)c6=O)))))))))C4
|
[C][O][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][Branch2][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][C][C][C][Ring1][#Branch1][=O][C][Ring2][Ring1][O]
|
C18C[C@@H](C)C[C@H](C)C1.c19c[nH]cc(C)c1=O.C15CC6%10C1.C38=O.C49=O.CO5.C7%10.N37.N46
|
CC(=O)N1CCC[C@@H]1CC(=O)N1CCC2(CC[C@H]2NC(=O)c2cc(Cl)c[nH]2)CC1
|
CC=O)NCCC[C@@H]5CC=O)NCCCCC[C@H]4NC=O)cccCl)c[nH]5))))))))))CC6
|
[C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][NH1][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
N14CCC2(CC[C@H]26)CC1.N13CCC[C@@H]18.c17cc(Cl)c[nH]1.C8C4=O.CC3=O.C57=O.N56
|
Cc1nc(C)c(CC(=O)N2CCN(C(=O)Cc3ccsn3)C[C@H]2CC(F)F)s1
|
CcncC)cCC=O)NCCNC=O)Ccccsn5)))))))C[C@H]6CCF)F)))))))))))s5
|
[C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][=C][S][N][=Ring1][Branch1][C][C@H1][Ring1][=C][C][C][Branch1][C][F][F][S][Ring2][Ring1][O]
|
N14CCN5C[C@H]16.Cc1nc(C)c7s1.c18ccsn1.C7C4=O.C5(=O)C8.C6C(F)F
|
CSCCCC(=O)N[C@@H]1CN(C(=O)c2cnnc(O)c2)CC(C)(C)C1
|
CSCCCC=O)N[C@@H]CNC=O)ccnncO)c6)))))))CCC)C)C6
|
[C][S][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][N][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][P]
|
[C@@H]16CN4CC(C)(C)C1.c17cnnc(O)c1.C5CCC3=O.C47=O.CS5.N36
|
COc1cc(C(=O)N2C[C@H](C)[C@H](NC(=O)C3CC=CC3)C2)cc(F)c1C#N
|
COcccC=O)NC[C@H]C)[C@H]NC=O)CCC=CC5)))))))C5))))))ccF)c6C#N
|
[C][O][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=C][C][Ring1][Branch1][C][Ring1][=C][=C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][C][#N]
|
c16cc9cc(F)c1C#N.N14C[C@@H]7[C@@H](C)C1.C18CC=CC1.C49=O.C58=O.CO6.N57
|
CC(=O)CCC(=O)N(C)[C@@H](CC(F)F)C(=O)N(C)C[Si](C)(C)C
|
CC=O)CCC=O)NC)[C@@H]CCF)F)))C=O)NC)C[Si]C)C)C
|
[C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=Branch1][C][=O][N][Branch1][C][C][C][Si][Branch1][C][C][Branch1][C][C][C]
|
[C@H]3(CC(F)F)C2=O.CC(=O)CCC1=O.N2(C)C[Si](C)(C)C.N13C
|
CN1C[C@@H](C(=O)NCC[C@H](O)C(=O)N[C@@H]2CCn3ncnc3C2)CCC1=O
|
CNC[C@@H]C=O)NCC[C@H]O)C=O)N[C@@H]CCnncnc5C9))))))))))))))))CCC6=O
|
[C][N][C][C@@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@H1][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring2][Ring1][=Branch2][=O]
|
[C@@H]17CCn2ncnc2C1.CN1C[C@@H]8CCC1=O.C6C[C@H](O)C5=O.C48=O.N46.N57
|
O=C1C[C@@H](CC(=O)N(CCNC(=O)[C@H]2CCC3(CC3)C2)C2CCCC2)CN1
|
O=CC[C@@H]CC=O)NCCNC=O)[C@H]CCCCC3))C5)))))))))CCCCC5))))))))CN5
|
[O][=C][C][C@@H1][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][#Branch1][C][C][C][C][C][Ring1][Branch1][C][N][Ring2][Ring1][#Branch2]
|
[C@H]19CCC2(CC2)C1.O=C1C[C@@H]%10CN1.C18CCCC1.C%10C4=O.N468.C6C7.C59=O.N57
|
CN1CCC(=CC(=O)NC[C@](C)(NC(=O)C#C[C@H]2CCCCO2)C2CCC2)C1
|
CNCCC=CC=O)NC[C@]C)NC=O)C#C[C@H]CCCCO6))))))))))CCCC4)))))))))C5
|
[C][N][C][C][C][=Branch2][Ring2][Ring1][=C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][#C][C@H1][C][C][C][C][O][Ring1][=Branch1][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][O]
|
C4(=O)C#C[C@H]1CCCCO1.CN1CCC=7C1.C5[C@]68C.C=7C3=O.C18CCC1.N35.N46
|
O=C(CC(F)F)N1[C@@H]2CC[C@H]1CN(C(=O)[C@H]1CC[C@H]([N+](=O)[O-])CC1)C2
|
O=CCCF)F)))N[C@@H]CC[C@H]5CNC=O)[C@H]CC[C@H][N+]=O)[O-]))CC6)))))))C7
|
[O][=C][Branch1][#Branch1][C][C][Branch1][C][F][F][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring1][=Branch2][C][Ring2][Ring1][C]
|
N13[C@@H]2CC[C@H]1CN4C2.[C@H]15CC[C@H]([N+](=O)[O-])CC1.O=C3CC(F)F.C45=O
|
Cc1ccn(CCC(=O)N2C[C@H]3CC[C@@](NC(=O)C45CC(C)(C4)C5)(C3)C2)n1
|
CcccnCCC=O)NC[C@H]CC[C@@]NC=O)CCCC)C4)C4))))))C5)C7))))))))))n5
|
[C][C][C][=C][N][Branch2][Ring2][O][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][C@@][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][=C][C][Ring1][P][N][=Ring2][Ring1][#Branch2]
|
N16C[C@H]2CC[C@@]8(C2)C1.Cc1ccn%10n1.C129CC(C)(C1)C2.C%10CC6=O.C79=O.N78
|
CCc1c([C@H](C(=O)N[C@H]2CCOC2)N2CCOc3ccc(OC)cc32)cnn1C
|
CCcc[C@H]C=O)N[C@H]CCOC5)))))))NCCOccccOC))cc6%10)))))))))))cnn5C
|
[C][C][C][=C][Branch2][Ring2][C][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Ring1][Branch1][N][C][C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Ring1][N][C][=N][N][Ring2][Ring1][#Branch2][C]
|
N16CCOc2ccc5cc21.c18c9cnn1C.[C@@H]69C4=O.[C@H]17CCOC1.CC8.N47.O5C
|
Cn1ccc(=O)c(C(=O)NC[C@@H]2CCN(C(=O)Cc3cncn3C)C23CC3)c1
|
Cnccc=O)cC=O)NC[C@@H]CCNC=O)Cccncn5C))))))))C5CC3))))))))))c6
|
[C][N][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][N][=C][N][Ring1][Branch1][C][C][Ring1][=C][C][C][Ring1][Ring1][=C][Ring2][Ring1][O]
|
Cn1ccc(=O)c7c1.[C@@H]19CCN5C12CC2.c18cncn1C.C5(=O)C8.C47=O.N46.C69
|
Cc1ccc2[nH]c(CN[C@@H]3CC[C@@H](C(=O)Nc4cc(F)c(I)c(F)c4)C3)cc2c1
|
Ccccc[nH]cCN[C@@H]CC[C@@H]C=O)NcccF)cI)cF)c6))))))))C5)))))))cc5c9
|
[C][C][=C][C][=C][NH1][C][Branch2][Ring2][Ring1][C][N][C@@H1][C][C][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][F][=C][Branch1][C][I][C][Branch1][C][F][=C][Ring1][=Branch2][C][Ring1][P][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
Cc1ccc2[nH]c%10cc2c1.c17cc(F)c(I)c(F)c1.[C@@H]18CC[C@@H]9C1.C59=O.C6%10.N68.N57
|
CCc1ncsc1C(=O)NC[C@@](C)(F)CNC(=O)c1ccc(COC)s1
|
CCcncsc5C=O)NC[C@@]C)F)CNC=O)ccccCOC)))s5
|
[C][C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][Branch1][C][F][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][C][O][C][S][Ring1][Branch2]
|
c19ncsc17.C5[C@@](C)(F)C6.c18ccc%10s1.C27=O.C38=O.CC9.N25.N36.C4%10.O4C
|
COC(=O)CCCC(=O)N1CC=C(C(=O)N2CC[C@@H](N(C)C)[C@@H]2C)C1
|
COC=O)CCCC=O)NCC=CC=O)NCC[C@@H]NC)C))[C@@H]5C)))))))C5
|
[C][O][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@@H1][Ring1][Branch2][C][C][Ring1][S]
|
C3(=O)CCCC4=O.N14CC=C(C5=O)C1.N15CC[C@@H]6[C@@H]1C.N6(C)C.CO3
|
C=CCOCC(=O)N[C@@H](CNC(=O)c1ncncc1F)c1cccc(Cl)c1Cl
|
C=CCOCC=O)N[C@@H]CNC=O)cncncc6F))))))))))cccccCl)c6Cl
|
[C][=C][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][S][C][N][C][=Branch1][C][=O][C][=N][C][=N][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]
|
c19cccc(Cl)c1Cl.c18ncncc1F.C5C2=O.[C@@H]69C7.C=CC4.C38=O.O45.N26.N37
|
CN(C)C(=O)C=CC(=O)N1CCC[C@@H]2[C@@H]1CCCCN2C(=O)C#C[C@@H]1CCOC1
|
CNC)C=O)C=CC=O)NCCC[C@@H][C@@H]6CCCCN7C=O)C#C[C@@H]CCOC5
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][C@@H1][Ring1][=Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][#C][C@@H1][C][C][O][C][Ring1][Branch1]
|
N14CCC[C@@H]2[C@@H]1CCCCN25.C5(=O)C#C[C@@H]1CCOC1.C3(=O)C=6.C=6C4=O.CN3C
|
CCc1oc(C(=O)NCCN(CCOC)C(=O)c2c(C)nc3sccn23)cc1C
|
CCcocC=O)NCCNCCOC))))C=O)ccC)ncsccn85))))))))))))))cc5C
|
[C][C][C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Branch1][C][C][O][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][S][C][=C][N][Ring1][=Branch2][Ring1][Branch1][=C][C][=Ring2][Ring1][#Branch2][C]
|
c1%11c(C)nc2sccn12.c1%12oc%10cc1C.C4%10=O.C7C8.N589.C9C6.C5%11=O.CC%12.N47.O6C
|
C[C@@H](F)[C@@H](C)NC(=O)CCOCCCNC(=O)C1(C2CC2)CC1
|
C[C@@H]F)[C@@H]C)NC=O)CCOCCCNC=O)CCCC3)))CC3
|
[C][C@@H1][Branch1][C][F][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1]
|
C19(C2CC2)CC1.C[C@@H](F)[C@H]7C.C3(=O)CC5.C6CC8.C49=O.N37.O56.N48
|
CC1(C)COC[C@@H](C(=O)NCCC2=CCN(C(=O)c3cc(O)ccc3F)CC2)O1
|
CCC)COC[C@@H]C=O)NCCC=CCNC=O)cccO)ccc6F))))))))CC6))))))))))O6
|
[C][C][Branch1][C][C][C][O][C][C@@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][=C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][F][C][C][Ring1][S][O][Ring2][Ring1][N]
|
C6CC1=CCN5CC1.CC1(C)COC[C@@H]7O1.c18cc(O)ccc1F.C47=O.C58=O.N46
|
Cc1ccc2c(=N[C@H](C)CC(N)=O)[nH]c(=NCCCC3(C)CC3)[nH]c2c1
|
Cccccc=N[C@H]C)CCN)=O)))))[nH]c=NCCCCC)CC3)))))))[nH]c6c%10
|
[C][C][=C][C][=C][C][=Branch1][N][=N][C@H1][Branch1][C][C][C][C][Branch1][C][N][=O][NH1][C][=Branch1][=N][=N][C][C][C][C][Branch1][C][C][C][C][Ring1][Ring2][NH1][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc2c(=N[C@H](C)CC(N)=O)[nH]c(=NCCC4)[nH]c2c1.C14(C)CC1
|
Cn1nc(O)cc1C(=O)NCCc1ccc(CNC(=O)CSc2nncs2)cc1
|
CnncO)cc5C=O)NCCccccCNC=O)CScnncs5))))))))))cc6
|
[C][N][N][=C][Branch1][C][O][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C][=C][Ring1][P]
|
Cn1nc(O)cc18.c19ccc%10cc1.c1%11nncs1.C4(=O)C7.C38=O.C5C9.N35.C6%10.N46.S7%11
|
Cc1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3NC(N)=O)C[C@H]2C)cs1
|
CcccC=O)NCC[C@@H]NC=O)cccccc6NCN)=O)))))))))))C[C@H]6C))))))))cs5
|
[C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][N][=O][C][C@H1][Ring2][Ring1][Ring1][C][=C][S][Ring2][Ring1][O]
|
N14CC[C@@H]8C[C@H]1C.c1%10ccccc17.Cc1cc9cs1.C49=O.C5%10=O.C6(N)=O.N58.N67
|
C[C@@H]1OCCC[C@H]1C(=O)N1CCCO[C@@H](CNc2ncc(C(C)(C)O)cn2)C1
|
C[C@@H]OCCC[C@H]6C=O)NCCCO[C@@H]CNcnccCC)C)O))cn6))))))))C7
|
[C][C@@H1][O][C][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch2][Ring1][Branch1][C][N][C][=N][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C][=N][Ring1][#Branch2][C][Ring2][Ring1][Ring1]
|
N13CCCO[C@@H]7C1.C[C@@H]1OCCC[C@H]16.c15ncc8cn1.C8(C)(C)O.C36=O.C47.N45
|
C=CCC1(C(=O)N2CCC(NC(=O)[C@H](C)C/C=C/CC)CC2)CC1
|
C=CCCC=O)NCCCNC=O)[C@H]C)C/C=C/CC))))))))CC6)))))))CC3
|
[C][=C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][/C][=C][/C][C][C][C][Ring1][S][C][C][Ring2][Ring1][Branch1]
|
N13CCC5CC1.C4(=O)[C@H](C)CC=7.C168CC1.C=CC8.C36=O.C=7CC.N45
|
Cc1cc(Br)ccc1S(=O)(=O)N(c1ccccn1)C1CCC2(CCNCC2)CC1
|
CcccBr)ccc6S=O)=O)Ncccccn6))))))CCCCCCNCC6)))))CC6
|
[C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Branch1][Branch2][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][O]
|
Cc1cc(Br)ccc1S3(=O)=O.C15CCC2(CCNCC2)CC1.c14ccccn1.N345
|
O=C(N[C@H]1C[C@@H](NC(=O)c2ccc3nc(O)sc3c2)C1)C1=CS(=O)(=O)CCC1
|
O=CN[C@H]C[C@@H]NC=O)ccccncO)sc5c9)))))))))))C4)))))C=CS=O)=O)CCC6
|
[O][=C][Branch2][Ring1][S][N][C@H1][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Branch1][C][O][S][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring1][P][C][=C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Branch2]
|
O=C4C1=CS(=O)(=O)CCC1.c18ccc2nc(O)sc2c1.[C@H]16C[C@@H]7C1.C58=O.N46.N57
|
CC1(C)CO[C@H](C(=O)N2CC=C(CC(=O)N[C@@H](CO)CC3CCC3)CC2)C1
|
CCC)CO[C@H]C=O)NCC=CCC=O)N[C@@H]CO))CCCCC4)))))))))CC6)))))))C5
|
[C][C][Branch1][C][C][C][O][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Ring2][C][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2]
|
N14CC=C(CC5=O)CC1.CC1(C)CO[C@H]7C1.[C@@H]6(C8)CO.C18CCC1.C47=O.N56
|
Cn1cc(C[C@@H](O)C(=O)N[C@@]2(C)CCCN(C(=O)c3coc(Cl)n3)C2)cn1
|
CnccC[C@@H]O)C=O)N[C@@]C)CCCNC=O)ccocCl)n5))))))C6))))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][=Branch1][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][Ring1][#C][C][=N][Ring2][Ring1][#Branch2]
|
[C@]16(C)CCCN5C1.Cn1cc8cn1.C8[C@@H](O)C4=O.c17coc(Cl)n1.C57=O.N46
|
Cn1nccc(C(=O)NC2(CNC(=O)Cc3ccccc3O)CCCCC2)c1=O
|
CnncccC=O)NCCNC=O)Ccccccc6O)))))))))))CCCCC6))))))))c6=O
|
[C][N][N][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][C][C][Ring2][Ring1][C][C][Ring2][Ring1][O][=O]
|
Cn1nccc8c1=O.C169CCCCC1.c1%10ccccc1O.C5(=O)C%10.C48=O.N46.C79.N57
|
C[S@+]([O-])C=CC(=O)N[C@@]1(C)CCCN(C(=O)c2c(O)ncc3c2CCC3)C1
|
C[S@+][O-])C=CC=O)N[C@@]C)CCCNC=O)ccO)nccc6CCC5))))))))))C6
|
[C][S@+1][Branch1][C][O-1][C][=C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][N][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][Branch1][C][Ring2][Ring1][Ring1]
|
c17c(O)ncc2c1CCC2.[C@]16(C)CCCN5C1.C[S@+]([O-])C=CC4=O.C57=O.N46
|
C#CC1(C(=O)NC[C@@]23CCC[C@@H](CN2C(=O)CCc2ccc(CO)cc2)C3)CC1
|
C#CCC=O)NC[C@@]CCC[C@@H]CN7C=O)CCccccCO))cc6)))))))))))C6)))))))))CC3
|
[C][#C][C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@@][C][C][C][C@@H1][Branch2][Ring1][#Branch1][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring2][Ring1][Ring2][C][C][Ring2][Ring1][O]
|
[C@@]128CCC[C@@H](CN15)C2.c19ccc%10cc1.C#CC17CC1.C5(=O)CC9.C47=O.N46.C68.C%10O
|
Cc1cc(C(F)(F)F)ncc1C(=O)NC[C@@H]1C[C@H](C(C)C)CCN1C(=O)C(C)C
|
CcccCF)F)F))ncc6C=O)NC[C@@H]C[C@H]CC)C))CCN6C=O)CC)C
|
[C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][C][=C][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][C][C][C]
|
Cc1cc7ncc15.[C@@H]16C[C@H]8CCN13.C3(=O)C(C)C.C7(F)(F)F.C25=O.C8(C)C.N24.C46
|
C[C@@H]1C[C@@H](CNC(=O)CN(C)CCO)CN1C(=O)c1c[nH]cc(F)c1=O
|
C[C@@H]C[C@@H]CNC=O)CNC)CCO))))))))CN5C=O)cc[nH]ccF)c6=O
|
[C][C@@H1][C][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][O][C][N][Ring1][#C][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][C][F][C][Ring1][#Branch1][=O]
|
c17c[nH]cc(F)c1=O.C[C@@H]1C[C@@H]8CN13.C2(=O)C5.N56C.C6CO.C37=O.C48.N24
|
C[C@H]1CCCN(C(=O)c2ccn(C(C)(C)C)n2)[C@H]1CNC(=O)C=C(Cl)Cl
|
C[C@H]CCCNC=O)cccnCC)C)C))n5))))))[C@H]6CNC=O)C=CCl)Cl
|
[C][C@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][=Ring1][=Branch2][C@H1][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][Cl]
|
C[C@H]1CCCN3[C@H]18.c16ccn7n1.C4(=O)C=C(Cl)Cl.C7(C)(C)C.C36=O.C58.N45
|
CC(C)(NC(=O)C1=C(F)CN(C(=O)[C@@H]2O[C@H]3CC[C@H]2C3)CC1)[C@H](O)CO
|
CCC)NC=O)C=CF)CNC=O)[C@@H]O[C@H]CC[C@H]6C5))))))))CC6))))))))[C@H]O)CO
|
[C][C][Branch1][C][C][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][O][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][C][Ring1][S][C@H1][Branch1][C][O][C][O]
|
C4(=O)C1=C(F)CN5CC1.CC6(C)[C@H](O)CO.[C@@H]17O[C@H]2CC[C@H]1C2.C57=O.N46
|
Cc1cc(C(=O)N2CC[C@@H](O)[C@H](NC(=O)[C@@H](C)P(C)(C)=O)C2)c(C)cc1Cl
|
CcccC=O)NCC[C@@H]O)[C@H]NC=O)[C@@H]C)PC)C)=O)))))C6)))))))cC)cc6Cl
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][P][Branch1][C][C][Branch1][C][C][=O][C][Ring1][S][=C][Branch1][C][C][C][=C][Ring2][Ring1][=Branch2][Cl]
|
Cc1cc6c(C)cc1Cl.N13CC[C@@H](O)[C@H]5C1.C4(=O)[C@@H](C)P(C)(C)=O.C36=O.N45
|
CC[C@](C)(CCNC(=O)c1ccn(C2CC2)n1)NC(=O)CCCOCCOC
|
CC[C@]C)CCNC=O)cccnCCC3)))n5)))))))))NC=O)CCCOCCOC
|
[C][C][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=Ring1][Branch2][N][C][=Branch1][C][=O][C][C][C][O][C][C][O][C]
|
CC[C@]8(C)CC9.c1%10ccn%11n1.C4(=O)CCC5.C3%10=O.C1%11CC1.C6C7.N39.N48.O56.O7C
|
C#C[C@](C)(NC(=O)c1cc(CNC(=O)[C@@H]2COC[C@@H](C)O2)no1)C1CCC1
|
C#C[C@]C)NC=O)cccCNC=O)[C@@H]COC[C@@H]C)O6)))))))))no5)))))))CCCC4
|
[C][#C][C@][Branch1][C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@@H1][C][O][C][C@@H1][Branch1][C][C][O][Ring1][#Branch1][=N][O][Ring1][S][C][C][C][C][Ring1][Ring2]
|
[C@@H]17COC[C@@H](C)O1.c18cc9no1.C#C[C@]5%10C.C1%10CCC1.C38=O.C47=O.N35.C69.N46
|
C[C@H](NC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)c1cn(CCCO)nn1
|
C[C@H]NC=O)ccn-ccccc[N+]=O)[O-]))c6))))))nn5)))))))ccnCCCO))))nn5
|
[C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=N][Ring1][=C][C][=C][N][Branch1][Branch1][C][C][C][O][N][=N][Ring1][=Branch2]
|
c18cccc([N+](=O)[O-])c1.c15cn8nn1.c17cn6nn1.C6CCO.C[C@H]47.C35=O.N34
|
CC(C)S(=O)(=O)CC(=O)N1CCCCC[C@@H](NC(=O)[C@@H]2CCCC2(C)C)C1
|
CCC)S=O)=O)CC=O)NCCCCC[C@@H]NC=O)[C@@H]CCCC5C)C))))))))C8
|
[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring2][Ring1][C]
|
CC(C)S(=O)(=O)CC3=O.N13CCCCC[C@@H]5C1.[C@@H]16CCCC1(C)C.C46=O.N45
|
CC(C)[C@@H](O)C(=O)N1CCN(C)[C@H](C(=O)N(C)Cc2ccon2)C1
|
CCC)[C@@H]O)C=O)NCCNC)[C@H]C=O)NC)Ccccon5))))))))C6
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][=C][O][N][=Ring1][Branch1][C][Ring1][P]
|
N13CCN(C)[C@H]6C1.CC(C)[C@@H](O)C3=O.c17ccon1.C46=O.N45C.C57
|
CCCSCC(=O)N1CC[C@@](CNC(=O)COc2ccc(C#N)cc2)(C(F)F)C1
|
CCCSCC=O)NCC[C@@]CNC=O)COccccC#N))cc6)))))))))))CF)F))C5
|
[C][C][C][S][C][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Branch1][=Branch1][C][Branch1][C][F][F][C][Ring2][Ring1][=Branch1]
|
c16ccc(C#N)cc1.N13CC[C@@]%10%11C1.C9C3=O.C4(=O)C5.CCC8.C%11(F)F.S89.C7%10.N47.O56
|
N=c1cc[nH]c(C(=O)N2CCC([C@@H]3C[C@H]3NC(=O)[C@@H](F)CC3CC3)CC2)n1
|
N=ccc[nH]cC=O)NCCC[C@@H]C[C@H]3NC=O)[C@@H]F)CCCC3))))))))))CC6)))))))n6
|
[N][=C][C][=C][NH1][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][C][Ring1][Ring1][C][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch2]
|
N14CCC([C@@H]2C[C@H]26)CC1.N=c1cc[nH]c7n1.C5(=O)[C@@H](F)C8.C47=O.C18CC1.N56
|
CCn1nnc(Br)c1CNC(=O)NC[C@]1(F)C[C@@H](NC(=O)OC(C)(C)C)C1
|
CCnnncBr)c5CNC=O)NC[C@]F)C[C@@H]NC=O)OCC)C)C)))))C4
|
[C][C][N][N][=N][C][Branch1][C][Br][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C@][Branch1][C][F][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=N]
|
n1%12nnc(Br)c13.[C@]14(F)C[C@H]%11C1.C8(C)(C)C.C56=O.C27=O.CC%12.C93.N59.N6%10.C%104.N7%11.O28
|
CCn1cc(CC(=O)NC23CC(NC(=O)C[C@H]4CCCC[C@@H]4F)(C2)C3)cn1
|
CCnccCC=O)NCCCNC=O)C[C@H]CCCC[C@@H]6F))))))))))C4)C4)))))))cn5
|
[C][C][N][C][=C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][S][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][F][Branch1][Ring2][C][Ring1][#C][C][Ring1][S][C][=N][Ring2][Ring1][=Branch2]
|
[C@H]1%10CCCC[C@@H]1F.n19cc%11cn1.C127CC8(C1)C2.C%11C5=O.C6(=O)C%10.CC9.N57.N68
|
O=C(NC[C@@H]1COCCN(C(=O)C2=C[C@@H]3CCC[C@H]23)C1)c1ccccc1[N+](=O)[O-]
|
O=CNC[C@@H]COCCNC=O)C=C[C@@H]CCC[C@H]75))))))))C7)))))))))cccccc6[N+]=O)[O-]
|
[O][=C][Branch2][Ring1][=N][N][C][C@@H1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C@@H1][C][C][C][C@H1][Ring1][#Branch1][Ring1][Branch1][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]
|
C5(=O)C1=C[C@@H]2CCC[C@H]12.c17ccccc1[N+](=O)[O-].[C@@H]18COCCN5C1.O=C47.N46.C68
|
Cc1ccc(OCC(=O)N2C[C@H]3C[C@@H](NC(=O)[C@H]4CCCSC4)C[C@H]2C3)cc1C
|
CccccOCC=O)NC[C@H]C[C@@H]NC=O)[C@H]CCCSC6))))))))C[C@H]7C6)))))))))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring2][C][O][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C@H1][C][C][C][S][C][Ring1][=Branch1][C][C@H1][Ring1][S][C][Ring1][#C][C][=C][Ring2][Ring1][O][C]
|
N15C[C@H]2C[C@@H]9C[C@H]1C2.Cc1ccc8cc1C.[C@H]1%10CCCSC1.C7C5=O.C6%10=O.O78.N69
|
O=C(NC1(C(=O)NCc2cnc[nH]2)CC1)[C@H]1CCCCS1
|
O=CNCC=O)NCccnc[nH]5))))))))CC3))))[C@H]CCCCS6
|
[O][=C][Branch2][Ring1][=Branch1][N][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Ring1][N][C@H1][C][C][C][C][S][Ring1][=Branch1]
|
[C@H]17CCCCS1.c19cnc[nH]1.C158CC1.O=C37.C48=O.N35.N46.C69
|
CCn1cccc1C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCc1cc(C)sc1C
|
CCncccc5C=O)NC[C@@H]C[C@H]CC[C@@H]6N5C=O)CCcccC)sc5C
|
[C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=C][Branch1][C][C][S][C][=Ring1][=Branch1][C]
|
[C@@H]18C[C@H]2CC[C@@H]1N24.c19cc(C)sc1C.n17cccc16.C4(=O)CC9.C36=O.CC7.N35.C58
|
Cc1ncc(C(=O)NCc2occc2C(=O)N[C@@H]2CC[C@H]2O)cn1
|
CcnccC=O)NCcoccc5C=O)N[C@@H]CC[C@H]4O)))))))))))))))cn6
|
[C][C][=N][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Ring2][O][C][=N][Ring2][Ring1][#Branch1]
|
Cc1ncc7cn1.c19occc18.[C@@H]16CC[C@H]1O.C37=O.C48=O.N35.C59.N46
|
CO[C@@H](C)c1noc(CN2CCN[C@@H](C(F)(F)F)[C@H]2C)n1
|
CO[C@@H]C)cnocCNCCN[C@@H]CF)F)F))[C@H]6C))))))))n5
|
[C][O][C@@H1][Branch1][C][C][C][=N][O][C][Branch2][Ring1][Branch1][C][N][C][C][N][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C@H1][Ring1][#Branch2][C][=N][Ring1][P]
|
N14CCN[C@@H]5[C@H]1C.c16noc7n1.C5(F)(F)F.[C@@H]36C.CO3.C47
|
CN(C)CC(=O)N1CCC[C@](O)(CN(C)C(=O)c2cccc3c2CCC(=O)N3)C1
|
CNC)CC=O)NCCC[C@]O)CNC)C=O)cccccc6CCC=O)N6)))))))))))))C6
|
[C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][O][Branch2][Ring1][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][Ring2][Ring1][#Branch1]
|
c18cccc2c1CCC(=O)N2.N14CCC[C@@]9(O)C1.C6C4=O.CN6C.N57C.C58=O.C79
|
CC1=CCS[C@@H]1C(=O)N[C@@]1(C)CCN(C(=O)c2cc3cccnn3c2)C1
|
CC=CCS[C@@H]5C=O)N[C@@]C)CCNC=O)ccccccnn6c9))))))))))C5
|
[C][C][=C][C][S][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@@][Branch1][C][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][Ring1][P]
|
c18cc2cccnn2c1.[C@]16(C)CCN5C1.CC1=CCS[C@@H]17.C47=O.C58=O.N46
|
Cc1c(F)cccc1C(=O)N1C[C@@H]2[C@H](C1)[C@H]2NC(=O)[C@@H](C)c1cncc(F)c1
|
CccF)cccc6C=O)NC[C@@H][C@H]C5)[C@H]3NC=O)[C@@H]C)ccnccF)c6
|
[C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][N][=C][C][Branch1][C][F][=C][Ring1][#Branch1]
|
Cc1c6cccc1F.N13C[C@@H]2[C@@H]5[C@@H]2C1.c17cncc(F)c1.C4(=O)[C@H]7C.C36=O.N45
|
O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H]1CC[C@H]1NC(=O)c1cc(Cl)sc1Cl
|
O=CCCncc[N+]=O)[O-]))cn5)))))))NC[C@@H]CC[C@H]4NC=O)cccCl)sc5Cl
|
[O][=C][Branch1][P][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2][N][C][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl]
|
n17cc([N+](=O)[O-])cn1.c16cc(Cl)sc1Cl.O=C2CC7.[C@@H]18CC[C@H]15.C36=O.N24.C48.N35
|
C=C[C@H](CCC)CC(=O)NCC[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)c2F)C1
|
C=C[C@H]CCC)))CC=O)NCC[C@H]C[C@H]NC=O)cccccCN)=O))c6F)))))))))C4
|
[C][=C][C@H1][Branch1][Ring2][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][C@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2][F][C][Ring1][P]
|
C=C[C@H](CCC)CC3=O.c17cccc8c1F.[C@H]19C[C@H]6C1.C5C9.C47=O.C8(N)=O.N35.N46
|
C#CCOCC(=O)N1CCCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1
|
C#CCOCC=O)NCCCNC=O)ccccOcccccc6)))))))nc6)))))))CC7
|
[C][#C][C][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][C][Ring2][Ring1][=Branch1]
|
N14CCCN5CC1.c1%10ccc8nc1.c19ccccc1.C7C4=O.C#CC6.C5%10=O.O67.O89
|
CO[C@]1(C)C[C@H](NC(=O)[C@@H]2CNC(=O)CN2C(=O)c2ccccc2Cl)C1(C)C
|
CO[C@]C)C[C@H]NC=O)[C@@H]CNC=O)CN6C=O)cccccc6Cl))))))))))))))))C4C)C
|
[C][O][C@][Branch1][C][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@@H1][C][N][C][=Branch1][C][=O][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][Branch2][Branch1][C][C][C]
|
[C@@]15(C)C[C@H]6C1(C)C.[C@@H]17CNC(=O)CN14.c18ccccc1Cl.C37=O.C48=O.CO5.N36
|
CC[C@@]1(C)C=C(C(=O)N[C@H]2C[C@@H]3C[C@H]2N(C(=O)C2=C(C)OCC2)C3)C1
|
CC[C@@]C)C=CC=O)N[C@H]C[C@@H]C[C@H]5NC=O)C=CC)OCC5))))))C5)))))))))C4
|
[C][C][C@@][Branch1][C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][C@H1][Ring1][Branch1][N][Branch1][#C][C][=Branch1][C][=O][C][=C][Branch1][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][#Branch1]
|
[C@]17(C)C=C(C4=O)C1.[C@H]16C[C@@H]2C[C@H]1N5C2.C5(=O)C1=C(C)OCC1.CC7.N46
|
CCc1ccc(C=CC(=O)N2CCC[C@H](CNC(=O)[C@H](OC)C3CCCC3)C2)o1
|
CCccccC=CC=O)NCCC[C@H]CNC=O)[C@H]OC))CCCCC5)))))))))C6)))))))))o5
|
[C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][C][O][Ring2][Ring1][O]
|
c19ccc(C=8)o1.N14CCC[C@H]%10C1.C5(=O)[C@H]6%11.C1%11CCCC1.C=8C4=O.CC9.C7%10.N57.O6C
|
CC1(C)NC(=O)C[C@H]1C(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(S(N)(=O)=O)co1
|
CCC)NC=O)C[C@H]5C=O)NC[C@@H]C[C@H]3NC=O)cccSN)=O)=O))co5
|
[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][O][Ring1][=Branch2]
|
c16cc(S(N)(=O)=O)co1.CC1(C)NC(=O)C[C@H]17.[C@@H]18C[C@H]15.C27=O.C36=O.N24.C48.N35
|
CCC1=NO[C@@H](CC(=O)N2CC=C[C@H]2C(=O)N(C)CCCF)C1
|
CCC=NO[C@@H]CC=O)NCC=C[C@H]5C=O)NC)CCCF)))))))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][C][=C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][F][C][Ring2][Ring1][Branch1]
|
CCC1=NO[C@@H]7C1.N13CC=C[C@H]16.C7C3=O.C5CCF.C46=O.N45C
|
CO[C@@H](C(=O)N1CCN(C[C@H]2CCNC2)CC1)c1ccccc1C(F)(F)F
|
CO[C@@H]C=O)NCCNC[C@H]CCNC5))))))CC6)))))))cccccc6CF)F)F
|
[C][O][C@@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C@H1][C][C][N][C][Ring1][Branch1][C][C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
N13CCN5CC1.c17ccccc18.[C@@H]47C3=O.[C@H]16CCNC1.C8(F)(F)F.CO4.C56
|
C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)C1(F)CC=CC1)C1(O)CCC1
|
C[C@H]C=O)NCCCC[C@@H]6CNC=O)CF)CC=CC5)))))))))))))))CO)CCC4
|
[C][C@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][=C][C][Ring1][=Branch1][C][Branch1][C][O][C][C][C][Ring1][Branch1]
|
N12CCCC[C@@H]16.C15(F)CC=CC1.C[C@@H]7C2=O.C17(O)CCC1.C35=O.C46.N34
|
CC1CCN(C(=O)C(=O)NC[C@]23C[C@@H]2CN(C(=O)C[C@H]2CC2(C)C)C3)CC1
|
CCCCNC=O)C=O)NC[C@]C[C@@H]3CNC=O)C[C@H]CC3C)C))))))C6))))))))))CC6
|
[C][C][C][C][N][Branch2][Ring2][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@][C][C@@H1][Ring1][Ring1][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][Ring1][=C][C][C][Ring2][Ring1][#Branch2]
|
CC1CCN4CC1.[C@]128C[C@@H]1CN6C2.C4(=O)C5=O.[C@H]19CC1(C)C.C6(=O)C9.N57.C78
|
CN(C(=O)c1cnco1)[C@@H](CNC(=O)c1cn2ccc(Br)cc2n1)C1CC1
|
CNC=O)ccnco5))))))[C@@H]CNC=O)ccncccBr)cc6n9))))))))))))CCC3
|
[C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][O][Ring1][Branch1][C@@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][Branch1][C][Br][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
c18cn2ccc(Br)cc2n1.c17cnco1.[C@@H]59C6.CN35.C37=O.C48=O.C19CC1.N46
|
CC[C@@H](C(=O)NC[C@@H](C)CNC(=O)CN(C)C(=O)C1CC1)C1CCOCC1
|
CC[C@@H]C=O)NC[C@@H]C)CNC=O)CNC)C=O)CCC3)))))))))))))CCCOCC6
|
[C][C][C@@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][C][O][C][C][Ring1][=Branch1]
|
CC[C@H]9C2=O.C19CCOCC1.C5[C@@H](C)C6.C3(=O)C7.N47C.C48=O.C18CC1.N25.N36
|
O=C(N[C@H]1CCO[C@H]1C(=O)N1CC[C@]2(C=CCO2)C1)c1c[nH]c2ccccc12
|
O=CN[C@H]CCO[C@H]5C=O)NCC[C@]C=CCO5))))C5))))))))))))cc[nH]cccccc96
|
[O][=C][Branch2][Ring1][N][N][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][#Branch1][C][=C][C][O][Ring1][Branch1][C][Ring1][=Branch2][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1]
|
N14CC[C@]2(C=CCO2)C1.c17c[nH]c2ccccc12.[C@H]15CCO[C@H]16.O=C37.C46=O.N35
|
CCOC1CC(C(=O)N(C)CCCCCCNC(=O)c2cncc(OC)c2)C1
|
CCOCCCC=O)NC)CCCCCCNC=O)ccnccOC))c6))))))))))))))))C4
|
[C][C][O][C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][Ring2][Ring1][=Branch2]
|
C8CCCCC9.c1%11cncc7c1.C16CC%10C1.C3%10=O.N38C.C4%11=O.CC5.O56.N49.O7C
|
CC[C@H](O)C(=O)N1CCC(CCNC(=O)c2c(SC)cnn2C)CC1
|
CC[C@H]O)C=O)NCCCCCNC=O)ccSC))cnn5C))))))))))CC6
|
[C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][S][C][C][=N][N][Ring1][#Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13CCC7CC1.c16c8cnn1C.CC[C@H](O)C3=O.C7C5.C46=O.N45.S8C
|
CCCc1cc(C(=O)N2C[C@H]3C[C@@]3(CNC(=O)c3coc(Cl)n3)C2)n(C)n1
|
CCCcccC=O)NC[C@H]C[C@@]3CNC=O)ccocCl)n5))))))))C6)))))))nC)n5
|
[C][C][C][C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][C][C@@][Ring1][Ring1][Branch1][P][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][Ring1][S][N][Branch1][C][C][N][=Ring2][Ring1][Branch2]
|
c19cc7n(C)n1.N14C[C@H]2C[C@@]2%10C1.c18coc(Cl)n1.CCC9.C47=O.C58=O.C6%10.N56
|
C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCn3nccc32)CC1
|
C[C@H]CC[C@H]NC=O)N[C@@H]CCCnnccc59))))))))))))CC6
|
[C][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][N][=C][C][=C][Ring1][Branch1][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1]
|
N5[C@@H]1CCCn2nccc21.C[C@H]1CC[C@H]6CC1.C45=O.N46
|
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