SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CCc1nn[nH]c1C(=O)NC/C=C(\C)C(=O)N1CCNC(=O)[C@H]1CCO
|
CCcnn[nH]c5C=O)NC/C=C\C)C=O)NCCNC=O)[C@H]6CCO
|
[C][C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Ring1][#Branch1][C][C][O]
|
N13CCNC(=O)[C@H]17.c18nn[nH]c15.C=6(C)C3=O.C25=O.C4C=6.C7CO.CC8.N24
|
CN(CC(=O)N[C@@](C)(CO)CNC(=O)c1nocc1Cl)C(=O)c1cccs1
|
CNCC=O)N[C@@]C)CO))CNC=O)cnocc5Cl)))))))))))))C=O)ccccs5
|
[C][N][Branch2][Ring1][=N][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][Cl][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1]
|
[C@]6(C)(C7)CO.c18nocc1Cl.c19cccs1.C5C2=O.CN45.C38=O.C49=O.N26.N37
|
CC(C)(Oc1ccccc1)C(=O)NC[C@@H](NC(=O)C1(O)COC1)C1CCCC1
|
CCC)Occcccc6)))))))C=O)NC[C@@H]NC=O)CO)COC4))))))CCCCC5
|
[C][C][Branch1][C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][O][C][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1]
|
CC4(C)C2=O.c15ccccc1.C18(O)COC1.C19CCCC1.C6[C@@H]79.C38=O.O45.N26.N37
|
COC(=O)[C@H]1C[C@H]1C(=O)N(C)C1CCC(NC(=O)c2n[nH]c3c2COCC3)CC1
|
COC=O)[C@H]C[C@H]3C=O)NC)CCCCNC=O)cn[nH]cc5COCC6)))))))))))CC6
|
[C][O][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][C]
|
c19n[nH]c2c1COCC2.C17CCC8CC1.[C@H]1%10C[C@H]1%11.C4%10=O.C5%11=O.N57C.C69=O.CO4.N68
|
C[C@H]1CCCN1CC(=O)NCCOCC(=O)N1CCOCC[C@H]1C1CC1
|
C[C@H]CCCN5CC=O)NCCOCC=O)NCCOCC[C@H]7CCC3
|
[C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][=Branch1][C][=O][N][C][C][O][C][C][C@H1][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
N13CCOCC[C@H]18.C[C@H]1CCCN16.C6C2=O.C5C3=O.C7C4.C18CC1.N27.O45
|
O=C(NCC[C@H]1CCCN1C(=O)C1=COCCO1)c1c(Cl)cccc1C(F)(F)F
|
O=CNCC[C@H]CCCN5C=O)C=COCCO6)))))))))))))))ccCl)cccc6CF)F)F
|
[O][=C][Branch2][Ring1][#Branch1][N][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][O][C][C][O][Ring1][=Branch1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
C3(=O)C1=COCCO1.c15c7cccc1Cl.[C@H]16CCCN13.C7(F)(F)F.O=C25.C4C6.N24
|
C=CCCO[C@H](C)C(=O)N[C@@H]1C[C@@H]1[C@H]1CCCN(C(=O)C(C)(C)C2CC2)C1
|
C=CCCO[C@H]C)C=O)N[C@@H]C[C@@H]3[C@H]CCCNC=O)CC)C)CCC3)))))C6
|
[C][=C][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][=C]
|
[C@@H]17C[C@@H]1[C@H]1CCCN4C1.C4(=O)C8(C)C.[C@@H]6(C)C3=O.C=CCC5.C18CC1.O56.N37
|
CC(C)(C)CC(=O)NCCC1(NC(=O)c2cnn(C(F)F)c2)CCC1
|
CCC)C)CC=O)NCCCNC=O)ccnnCF)F))c5)))))))CCC4
|
[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][Branch1][C][F][F][C][=Ring1][Branch2][C][C][C][Ring1][#C]
|
CC(C)(C)CC3=O.c17cnn8c1.C169CCC1.C5C9.C47=O.C8(F)F.N35.N46
|
CCC[C@H](CCNC(=O)[C@H](CCC)NC(=O)c1c(C)cnnc1O)C1CC1
|
CCC[C@H]CCNC=O)[C@H]CCC)))NC=O)ccC)cnnc6O))))))))))))))CCC3
|
[C][C][C][C@H1][Branch2][Ring1][#C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=N][N][=C][Ring1][#Branch1][O][C][C][C][Ring1][Ring1]
|
c16c(C)cnnc1O.CCC[C@@H]7CC4.C2(=O)[C@@H]5CCC.C36=O.C17CC1.N24.N35
|
CC[C@](C)(CNC(=NCCCSC)N1CCN([C@H](C)c2ccccn2)CC1)OC
|
CC[C@]C)CNC=NCCCSC))))))NCCN[C@H]C)cccccn6)))))))CC6)))))))))OC
|
[C][C][C@][Branch1][C][C][Branch2][Ring2][C][C][N][C][=Branch1][#Branch1][=N][C][C][C][S][C][N][C][C][N][Branch1][=N][C@H1][Branch1][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=C][O][C]
|
N4C(=NCCC6)N1CCN5CC1.CC[C@]3(C)C4.c17ccccn1.[C@H]57C.S6C.O3C
|
COC1(CC(=O)N2CCC[C@@H](C(N)=O)C2)CN(C(=O)COC2CCC2)C1
|
COCCC=O)NCCC[C@@H]CN)=O))C6))))))))CNC=O)COCCCC4)))))))C4
|
[C][O][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][Branch2]
|
N13CCC[C@@H]8C1.C159CN4C1.C9C3=O.C4(=O)C6.C17CCC1.C8(N)=O.CO5.O67
|
COCC[C@@H](CNC(=O)C=Cc1cn(C)nn1)NC(=O)c1ccncc1C(F)F
|
COCC[C@@H]CNC=O)C=CccnC)nn5))))))))))NC=O)cccncc6CF)F
|
[C][O][C][C][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][Branch1][C][C][N][=N][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Branch1][C][F][F]
|
C=8c1cn(C)nn1.c17ccncc19.C4C[C@H]5C6.C2(=O)C=8.C37=O.C9(F)F.CO4.N26.N35
|
COCc1ncc(CNC(=O)[C@@H]2CSCN2C(=O)c2cc(O)ccc2F)[nH]1
|
COCcnccCNC=O)[C@@H]CSCN5C=O)cccO)ccc6F))))))))))))))))[nH]5
|
[C][O][C][C][=N][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C@@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][F][NH1][Ring2][Ring1][Branch2]
|
c18cc(O)ccc1F.c19ncc%10[nH]1.[C@@H]17CSCN14.C37=O.C48=O.CO5.C59.C6%10.N36
|
CC[C@H](C)C[C@@H](CO)NC(=O)Nc1ccc(-n2cc(C)cn2)cc1
|
CC[C@H]C)C[C@@H]CO))NC=O)Ncccc-nccC)cn5)))))cc6
|
[C][C][C@H1][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][=C][Ring1][N]
|
CC[C@H](C)C[C@H]5CO.c16ccc7cc1.n17cc(C)cn1.C34=O.N35.N46
|
CCN(CC)CCOc1cc(NC(=O)NC2CSCCSC2)ccc1OC
|
CCNCC))CCOcccNC=O)NCCSCCSC7))))))))))ccc6OC
|
[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][Branch1][S][N][C][=Branch1][C][=O][N][C][C][S][C][C][S][C][Ring1][#Branch1][=C][C][=C][Ring1][P][O][C]
|
c17cc%12ccc18.C14CSCCSC1.N9%10%11.C%11C6.C35=O.CC9.C%10C.O67.N3%12.N54.O8C
|
CN(CCCCC(=O)N1CC(C2CCCC2)C1)C(=O)CC[C@@H]1CCCO1
|
CNCCCCC=O)NCCCCCCC5)))))C4)))))))))C=O)CC[C@@H]CCCO5
|
[C][N][Branch2][Ring1][Branch2][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C@@H1][C][C][C][O][Ring1][Branch1]
|
N13CC(C2CCCC2)C1.C5CCCC3=O.C4(=O)CC6.[C@@H]16CCCO1.CN45
|
CCn1cc(NC(=O)c2ccc(CNC(=O)CCn3cnnn3)o2)ccc1=O
|
CCnccNC=O)ccccCNC=O)CCncnnn5))))))))))o5)))))))ccc6=O
|
[C][C][N][C][=C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1][O][Ring1][S][C][=C][C][Ring2][Ring1][=Branch2][=O]
|
n19cc7ccc1=O.c18ccc%11o1.C5(=O)CC%10.n1%10cnnn1.C48=O.CC9.N47.C6%11.N56
|
CN(CC(C)(C)CNC(=O)[C@H]1Cc2c[nH]cc2S1(=O)=O)C(=O)[C@@]1(C)CC=CCO1
|
CNCCC)C)CNC=O)[C@H]Ccc[nH]cc5S8=O)=O))))))))))))))C=O)[C@@]C)CC=CCO6
|
[C][N][Branch2][Ring1][#C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][=C][NH1][C][=C][Ring1][Branch1][S][Ring1][Branch2][=Branch1][C][=O][=O][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][=C][C][O][Ring1][#Branch1]
|
[C@H]17Cc2c[nH]cc2S1(=O)=O.[C@]18(C)CC=CCO1.C5C(C)(C)C6.CN45.C37=O.C48=O.N36
|
Cc1ncccc1C(=O)NC[C@H](O)[C@H]1CCCO1
|
Ccncccc6C=O)NC[C@H]O)[C@H]CCCO5
|
[C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C@H1][C][C][C][O][Ring1][Branch1]
|
Cc1ncccc14.[C@H]15CCCO1.C3[C@@H]5O.C24=O.N23
|
CN1C(=O)C[C@@H](CNC(=O)[C@@]2(F)CCCN(C(=O)C(C)(C)C#N)C2)C1=O
|
CNC=O)C[C@@H]CNC=O)[C@@]F)CCCNC=O)CC)C)C#N))))C6)))))))))C5=O
|
[C][N][C][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C@@][Branch1][C][F][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][#N][C][Ring1][=C][C][Ring2][Ring1][Branch2][=O]
|
CN1C(=O)C[C@@H]7C1=O.[C@]16(F)CCCN4C1.C4(=O)C(C)(C)C#N.C36=O.C57.N35
|
COC1(CNC(=O)[C@H]2CN(C)CCN2C(=O)[C@@H](C)C2CCC2)CCC1
|
COCCNC=O)[C@H]CNC)CCN6C=O)[C@@H]C)CCCC4)))))))))))))))CCC4
|
[C][O][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C@H1][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][C][C][Ring1][Ring2][C][C][C][Ring2][Ring1][#Branch1]
|
[C@H]17CN(C)CCN14.C158CCC1.C4(=O)[C@H]9C.C19CCC1.C37=O.CO5.C68.N36
|
Cn1ncc(C(=O)N[C@@H]2CCC[C@H](C(=O)NC[C@@H](O)CO)CC2)cc1=O
|
CnnccC=O)N[C@@H]CCC[C@H]C=O)NC[C@@H]O)CO))))))CC7)))))))))cc6=O
|
[C][N][N][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Branch1][=N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][O][C][C][Ring1][#C][=C][C][Ring2][Ring1][Branch2][=O]
|
Cn1ncc8cc1=O.[C@@H]16CCC[C@H]7CC1.C5[C@@H](O)CO.C38=O.C47=O.N36.N45
|
CO[C@H](C(=O)N1C[C@@H](F)C[C@H](NC(=O)c2cnc(C(C)C)[nH]2)C1)C(C)C
|
CO[C@H]C=O)NC[C@@H]F)C[C@H]NC=O)ccncCC)C))[nH]5)))))))C6)))))))CC)C
|
[C][O][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch1][C][Branch1][C][C][C][NH1][Ring1][Branch2][C][Ring2][Ring1][C][C][Branch1][C][C][C]
|
N13C[C@@H]6C[C@H](F)C1.[C@@H]5(C3=O)C(C)C.c17cnc8[nH]1.C47=O.C8(C)C.CO5.N46
|
CS(=O)(=O)c1ccc(NC(=O)CC2(Nc3nccc(C#N)n3)CCC2)c(Cl)c1
|
CS=O)=O)ccccNC=O)CCNcncccC#N))n6)))))))CCC4)))))))cCl)c6
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][C][Branch1][=C][N][C][=N][C][=C][C][Branch1][Ring1][C][#N][=N][Ring1][Branch2][C][C][C][Ring1][=N][C][Branch1][C][Cl][=C][Ring2][Ring1][Branch2]
|
CS(=O)(=O)c1ccc7c(Cl)c1.c16nccc(C#N)n1.C158CCC1.C4(=O)C8.N47.N56
|
C[C@@H](C#N)C(=O)N[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)NCCCc1ccccc1
|
C[C@@H]C#N))C=O)N[C@H]CCCC[C@H]6NC)C=O)C=O)NCCCcccccc6
|
[C][C@@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@H]16CCCC[C@H]17.C[C@@H](C#N)C2=O.c18ccccc1.C3(=O)C4=O.C5CC8.N37C.N26.N45
|
CCN(CCNC(=O)C[C@H]1CCCC2(CC2)C1)C(=O)[C@@H]1CCn2ccnc2C1
|
CCNCCNC=O)C[C@H]CCCCCC3))C6)))))))))))C=O)[C@@H]CCnccnc5C9
|
[C][C][N][Branch2][Ring1][#Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C][C][N][C][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2]
|
[C@@H]18CCn2ccnc2C1.[C@H]19CCCC2(CC2)C1.C3(=O)C9.N456.C6C7.C48=O.CC5.N37
|
CCCC1(NC(=O)c2nc(C)c(C)nc2C)CCN(C(=O)C=C(Cl)Cl)CC1
|
CCCCNC=O)cncC)cC)nc6C)))))))))CCNC=O)C=CCl)Cl))))CC6
|
[C][C][C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][C][N][=C][Ring1][Branch2][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][Cl][C][C][Ring2][Ring1][Branch2]
|
c16nc(C)c(C)nc1C.C157CCN4CC1.C4(=O)C=C(Cl)Cl.CCC7.C36=O.N35
|
Cc1c[nH]cc1C(=O)N1CCCN(C(=O)Cn2cnc3c2CCCC3)CCC1
|
Ccc[nH]cc5C=O)NCCCNC=O)Cncncc5CCCC6)))))))))))CCC8
|
[C][C][=C][NH1][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Ring2]
|
N14CCCN5CCC1.n17cnc2c1CCCC2.Cc1c[nH]cc16.C5(=O)C7.C46=O
|
Cc1nnc(CC(=O)N2CCO[C@@]3(CCN(C(=O)CN(C)C4CC4)C3)C2)s1
|
CcnncCC=O)NCCO[C@@]CCNC=O)CNC)CCC3))))))C5))))C6))))))))s5
|
[C][C][=N][N][=C][Branch2][Ring2][Branch2][C][C][=Branch1][C][=O][N][C][C][O][C@@][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][Ring1][C][Ring1][=N][C][Ring2][Ring1][C][S][Ring2][Ring1][#Branch2]
|
N15CCO[C@@]2(CCN6C2)C1.Cc1nnc9s1.C9C5=O.C6(=O)C7.N78C.C18CC1
|
CCC1(C(=O)NC[C@]2(O)CCCN(C(=O)CNC(=O)CNC(C)=O)C2)CCC1
|
CCCC=O)NC[C@]O)CCCNC=O)CNC=O)CNCC)=O))))))))C6)))))))))CCC4
|
[C][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@][Branch1][C][O][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Ring2][Ring1][C][C][C][C][Ring2][Ring1][#Branch2]
|
[C@@]14(O)CCCN5C1.C1%11%12CCC1.C5(=O)C9.C6(=O)C%10.C3%11=O.C7(C)=O.CC%12.N38.C84.N69.N7%10
|
Cn1cc(C(N)=O)cc1C(=O)N1C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C2)CC1(C)C
|
CnccCN)=O))cc5C=O)NC[C@H]CNC=O)[C@H]CCS=O)=O)C5))))))))CC5C)C
|
[C][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][S][Branch1][C][C][C]
|
N13C[C@H]9CC1(C)C.Cn1cc8cc16.[C@H]17CCS(=O)(=O)C1.C8(N)=O.C36=O.C47=O.C59.N45
|
C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)[C@H]3CC3(C)C)CC23CCC3)O1
|
C[C@@H]CC[C@@H]C=O)NCCNC=O)[C@H]CC3C)C)))))CC6CCC4))))))))))O5
|
[C][C@@H1][C][C][C@@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][Branch1][C][C][C][C][C][Ring1][=N][C][C][C][Ring1][Ring2][O][Ring2][Ring1][#Branch1]
|
N14CCN5CC12CCC2.C[C@@H]1CC[C@@H]6O1.[C@H]17CC1(C)C.C46=O.C57=O
|
C=C[C@H]1CN(C(=O)[C@@]2(C)CCCS2)C[C@H]1NC(=O)c1ccoc1
|
C=C[C@H]CNC=O)[C@@]C)CCCS5))))))C[C@H]5NC=O)cccoc5
|
[C][=C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][S][Ring1][=Branch1][C][C@H1][Ring1][=N][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1]
|
C=C[C@H]1CN3C[C@H]15.[C@]16(C)CCCS1.c17ccoc1.C36=O.C47=O.N45
|
CC(C)[C@@H](CNC(=O)c1ccn(C(F)F)n1)C(=O)N[C@H]1CCN(C(C)(C)C)C1
|
CCC)[C@@H]CNC=O)cccnCF)F))n5))))))))C=O)N[C@H]CCNCC)C)C))C5
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][=Branch1][C][Branch1][C][F][F][N][=Ring1][Branch2][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2]
|
CC(C)[C@@H](C4)C3=O.c17ccn8n1.[C@H]16CCN5C1.C5(C)(C)C.C27=O.C8(F)F.N24.N36
|
CCOC(=O)[C@@](C)(CC)C(=O)N[C@H](C)CCCNC(=O)c1conc1C(F)(F)F
|
CCOC=O)[C@@]C)CC))C=O)N[C@H]C)CCCNC=O)cconc5CF)F)F
|
[C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][O][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F]
|
C2(=O)[C@@](C)(CC)C3=O.[C@@H]6(C)CCC7.c18conc19.C9(F)(F)F.C48=O.CC5.O25.N36.N47
|
CN1CCC[C@H]1CC(=O)N[C@@H]1CN(C(=O)Cc2cnns2)Cc2nccn2C1
|
CNCCC[C@H]5CC=O)N[C@@H]CNC=O)Cccnns5)))))))Ccnccn5C%10
|
[C][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][N][=N][S][Ring1][Branch1][C][C][=N][C][=C][N][Ring1][Branch1][C][Ring2][Ring1][C]
|
[C@@H]15CN4Cc2nccn2C1.CN1CCC[C@H]16.c17cnns1.C6C3=O.C4(=O)C7.N35
|
CSCCCC(=O)N1C[C@H]2CN(C(=O)c3cccc([S@@+](C)[O-])c3)C[C@@]2(C)C1
|
CSCCCC=O)NC[C@H]CNC=O)ccccc[S@@+]C)[O-]))c6)))))))C[C@@]5C)C8
|
[C][S][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][S@@+1][Branch1][C][C][O-1][=C][Ring1][=Branch2][C][C@@][Ring1][S][Branch1][C][C][C][Ring2][Ring1][Ring2]
|
N14C[C@H]2CN5C[C@@]2(C)C1.c17cccc([S@@+](C)[O-])c1.C6CCC4=O.C57=O.CS6
|
CC[C@H](CC(=O)NCCN(C(=O)[C@@]1(C)CC1(C)C)C1CC1)C1CC1
|
CC[C@H]CC=O)NCCNC=O)[C@@]C)CC3C)C)))))CCC3)))))))))CCC3
|
[C][C][C@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
CC[C@@H]8CC2=O.[C@]17(C)CC1(C)C.C4C5.N356.C37=O.C16CC1.C18CC1.N24
|
Cc1sc(C(=O)NC[C@H]2CC23CCN(C(=O)C[C@H](C)CF)CC3)cc1[N+](=O)[O-]
|
CcscC=O)NC[C@H]CC3CCNC=O)C[C@H]C)CF)))))CC6)))))))))))cc5[N+]=O)[O-]
|
[C][C][S][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][Ring1][Ring1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][F][C][C][Ring1][=N][=C][C][=Ring2][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]
|
Cc1sc7cc1[N+](=O)[O-].[C@H]18CC12CCN5CC2.C5(=O)C[C@H](C)CF.C47=O.N46.C68
|
COc1ccc([C@H]2CCCN2C(=O)c2ccccc2Cn2cncn2)cn1
|
COcccc[C@H]CCCN5C=O)cccccc6Cncncn5))))))))))))))))))cn6
|
[C][O][C][=C][C][=C][Branch2][Ring1][N][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1][C][=N][Ring2][Ring1][=Branch2]
|
c14ccc8cn1.c15ccccc17.[C@H]18CCCN13.n16cncn1.C35=O.CO4.C67
|
O=C1COc2cc(NC(=O)C3CCC(C(=O)O)CC3)cnc2N1
|
O=CCOcccNC=O)CCCCC=O)O))CC6))))))))cnc6N%10
|
[O][=C][C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][=C][N][=C][Ring2][Ring1][C][N][Ring2][Ring1][=Branch1]
|
O=C1COc2cc5cnc2N1.C16CCC7CC1.C46=O.C7(=O)O.N45
|
O=C(N[C@@H]1CNCC1(F)F)[C@H]1CCOC12CCC2
|
O=CN[C@@H]CNCC5F)F)))))))[C@H]CCOC5CCC4
|
[O][=C][Branch1][=N][N][C@@H1][C][N][C][C][Ring1][Branch1][Branch1][C][F][F][C@H1][C][C][O][C][Ring1][Branch1][C][C][C][Ring1][Ring2]
|
[C@H]15CCOC12CCC2.[C@@H]14CNCC1(F)F.O=C35.N34
|
COc1ccc(Cl)c(CC(=O)N[C@@H]2CN(C(=O)CCC#N)C[C@H]2SC)c1
|
COccccCl)cCC=O)N[C@@H]CNC=O)CCC#N)))))C[C@H]5SC))))))))))c6
|
[C][O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=Branch2][C][=Branch1][C][=O][C][C][C][#N][C][C@H1][Ring1][O][S][C][=C][Ring2][Ring1][Branch2]
|
c15ccc(Cl)c7c1.[C@@H]16CN4C[C@H]18.C4(=O)CCC#N.C7C3=O.CO5.N36.S8C
|
CCCC[C@H](O)CC(=O)NCCCCCC(=O)NCCCC1CCCC1
|
CCCC[C@H]O)CC=O)NCCCCCC=O)NCCCCCCCC5
|
[C][C][C][C][C@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][Ring1][Branch1]
|
CCCC[C@H](O)CC2=O.C4CCCCC3=O.C16CCCC1.C5CC6.N24.N35
|
CC(=CC(C)(C)C)C(=O)N[C@@H](CN=[N+]=[N-])C(=O)N(C)Cc1cccc(C)n1
|
CC=CCC)C)C)))C=O)N[C@@H]CN=[N+]=[N-]))))C=O)NC)CcccccC)n6
|
[C][C][=Branch1][#Branch2][=C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Branch1][C][N][=N+1][=N-1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1]
|
[C@H]4(CN=[N+]=[N-])C3=O.c17cccc(C)n1.CC=6C2=O.C=6C(C)(C)C.N35C.N24.C57
|
Cc1ccnn1[C@H](C)C(=O)Nc1cccc(Oc2ncccn2)c1
|
Ccccnn5[C@H]C)C=O)NcccccOcncccn6)))))))c6
|
[C][C][=C][C][=N][N][Ring1][Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=N]
|
c16cccc5c1.Cc1ccnn17.c14ncccn1.[C@@H]7(C)C3=O.N36.O45
|
COCn1ccc(C(=O)NC[C@H](C)N(C)C(=O)COc2cccc(C)c2F)n1
|
COCncccC=O)NC[C@H]C)NC)C=O)COcccccC)c6F)))))))))))))))n5
|
[C][O][C][N][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][F][=N][Ring2][Ring1][=Branch2]
|
c16cccc(C)c1F.n1%10ccc9n1.C7[C@@H]8C.C4(=O)C5.COC%10.C39=O.N48C.N37.O56
|
C[C@@H](C(=O)NCCCN(C)CCCNC(=O)C(C)(C)c1ccsc1)[C@H]1CCCO1
|
C[C@@H]C=O)NCCCNC)CCCNC=O)CC)C)cccsc5)))))))))))))))))[C@H]CCCO5
|
[C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][=C][S][C][=Ring1][Branch1][C@H1][C][C][C][O][Ring1][Branch1]
|
C3(=O)C9(C)C.C[C@H]8C2=O.c19ccsc1.[C@H]18CCCO1.C4CC5.C6CC7.N56C.N24.N37
|
C[C@@H](CNC(=O)C(=O)NCCCCC(C)(C)C)c1ccc(N(C)C)nc1
|
C[C@@H]CNC=O)C=O)NCCCCCC)C)C)))))))))))ccccNC)C))nc6
|
[C][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][N][=C][Ring1][=Branch2]
|
C5CCCC(C)(C)C.c17ccc6nc1.C2(=O)C3=O.C[C@H]7C4.N6(C)C.N24.N35
|
C#C[C@@H](CC)CNC(=O)/C=C/CNC(=O)CN1C(=O)CCC1=O
|
C#C[C@@H]CC))CNC=O)/C=C/CNC=O)CNC=O)CCC5=O
|
[C][#C][C@@H1][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][/C][=C][/C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
N17C(=O)CCC1=O.C#C[C@H](C4)CC.C2(=O)C=6.C3(=O)C7.C=6C5.N24.N35
|
COc1cc(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]2CCCN(C)C2)nn1C
|
COcccC=O)NC[C@H]CCC)C)))NC=O)[C@@H]CCCNC)C6))))))))))))nn5C
|
[C][O][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=N][N][Ring2][Ring1][Branch2][C]
|
c15cc8nn1C.C6[C@@H]7CC(C)C.[C@@H]19CCCN(C)C1.C38=O.C49=O.CO5.N36.N47
|
CC1(C)[C@H](NC(=O)C2=NOC3(CCC3)C2)CCN1C(=O)CCCCCS(N)(=O)=O
|
CCC)[C@H]NC=O)C=NOCCCC4)))C5)))))))CCN5C=O)CCCCCSN)=O)=O
|
[C][C][Branch1][C][C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=N][O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][Branch2][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][C][C][C][S][Branch1][C][N][=Branch1][C][=O][=O]
|
C5(=O)CCCCCS(N)(=O)=O.C4(=O)C1=NOC2(CCC2)C1.CC1(C)[C@H]6CCN15.N46
|
CCc1cc(C(=O)N2CC[C@@](COC)(NC(=O)c3cnc(SC)s3)C2)cc(O)n1
|
CCcccC=O)NCC[C@@]COC)))NC=O)ccncSC))s5)))))))C5))))))ccO)n6
|
[C][C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring2][C][O][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][S][Ring1][#Branch1][C][Ring2][Ring1][C][=C][C][Branch1][C][O][=N][Ring2][Ring1][O]
|
c1%10cc9cc(O)n1.N14CC[C@]7%11C1.c18cnc%12s1.C49=O.C58=O.CC%10.C6%11.O6C.N57.S%12C
|
CC(=O)NC[C@@H]1CCCN1C(=O)C[C@@H](CNC(=O)CCN(C)C)C1CCC1
|
CC=O)NC[C@@H]CCCN5C=O)C[C@@H]CNC=O)CCNC)C)))))))CCCC4
|
[C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C@@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][C][C][C][Ring1][Ring2]
|
C3(=O)C[C@H]9C6.[C@@H]18CCCN13.C4(=O)CC7.C19CCC1.CC2=O.N7(C)C.N25.C58.N46
|
CC(C)SCC(=O)N[C@@](C)(CNC(=O)c1cc(C2CCCCC2)on1)C1CC1
|
CCC)SCC=O)N[C@@]C)CNC=O)cccCCCCCC6))))))on5))))))))CCC3
|
[C][C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C@@][Branch1][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][O][N][=Ring1][O][C][C][C][Ring1][Ring1]
|
c19cc%11on1.C1%11CCCCC1.[C@@]5%10(C)C6.C8C3=O.CC7C.C49=O.C1%10CC1.S78.N35.N46
|
CCC=C(F)C(=O)N[C@@H]1CC[C@H](CCC(=O)N2CC[C@@H]2CC(=O)NC)C1
|
CCC=CF)C=O)N[C@@H]CC[C@H]CCC=O)NCC[C@@H]4CC=O)NC)))))))))))C5
|
[C][C][C][=C][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][C][Ring2][Ring1][C]
|
[C@@H]16CC[C@H]9C1.C=7(F)C3=O.C9CC4=O.N14CC[C@@H]18.C8C5=O.CCC=7.N36.N5C
|
CC(C)CCC(=O)NCC(=O)N1CC(N(C)C(=O)[C@H]2CC[C@H]2C)C1
|
CCC)CCC=O)NCC=O)NCCNC)C=O)[C@H]CC[C@H]4C)))))))C4
|
[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][S][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][C@H1][Ring1][Ring2][C][C][Ring1][=N]
|
CC(C)CCC3=O.N14CC7C1.[C@H]18CC[C@H]1C.C6C4=O.N57C.C58=O.N36
|
CCCCC(=O)NC12CC(C)(C1)OC21CN(C(=O)[C@H]2CCCc3n[nH]cc32)C1
|
CCCCC=O)NCCCC)C4)OC5CNC=O)[C@H]CCCcn[nH]cc59))))))))))C4
|
[C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][Ring1][#Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][C][C][=N][NH1][C][=C][Ring1][Branch1][Ring1][=Branch2][C][Ring1][#C]
|
C126CC(C)(C1)OC21CN5C1.C5(=O)[C@H]1CCCc2n[nH]cc21.CCCCC4=O.N46
|
COC1(CC(=O)N[C@@H]2CCN(C(=O)CSC(C)C)C[C@@H]2C(C)C)CC1
|
COCCC=O)N[C@@H]CCNC=O)CSCC)C)))))C[C@@H]6CC)C)))))))))))CC3
|
[C][O][C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][S][C][Branch1][C][C][C][C][C@@H1][Ring1][=N][C][Branch1][C][C][C][C][C][Ring2][Ring1][#Branch1]
|
[C@@H]18CCN4C[C@@H]1%10.C159CC1.C9C3=O.C4(=O)C6.C7(C)C.C%10(C)C.CO5.N38.S67
|
C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H](C3CC3)C2(F)F)CCN1C(=O)CCC(C)(C)[N+](=O)[O-]
|
C[C@@H]C[C@@H]NC=O)[C@@H][C@@H]CCC3)))C3F)F))))))CCN6C=O)CCCC)C)[N+]=O)[O-]
|
[C][C@@H1][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][=Branch1][Branch1][C][F][F][C][C][N][Ring1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][N+1][=Branch1][C][=O][O-1]
|
C5(=O)CCC(C)(C)[N+](=O)[O-].C[C@@H]1C[C@@H]6CCN15.[C@@H]17[C@@H](C2CC2)C1(F)F.C47=O.N46
|
CCc1c(Cl)ncnc1N[C@@H]1CC[C@@H]2CN(C(=O)[C@H]3CCCN3N=O)C[C@H]21
|
CCccCl)ncnc6N[C@@H]CC[C@@H]CNC=O)[C@H]CCCN5N=O))))))))C[C@H]58
|
[C][C][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][N][C@@H1][C][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][N][=O][C][C@H1][Ring1][=C][Ring1][P]
|
[C@@H]16CC[C@@H]2CN4C[C@H]21.c18c5ncnc1Cl.[C@H]17CCCN1N=O.C47=O.CC8.N56
|
C/C=C/[C@H]1CN(C(=O)C(CC)(CC)OC)C[C@@H]1C(=O)NCC1C[C@@H]2CCC[C@H]2C1
|
C/C=C/[C@H]CNC=O)CCC))CC))OC))))C[C@@H]5C=O)NCCC[C@@H]CCC[C@H]5C8
|
[C][/C][=C][/C@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][O][C][C][C@@H1][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2]
|
C=8[C@H]1CN3C[C@@H]17.C3(=O)C5(CC)CC.C19C[C@@H]2CCC[C@H]2C1.C47=O.CC=8.O5C.N46.C69
|
C[C@H]1CN(C(=O)c2cnco2)CCN1C(=O)Cc1ccc(S(=O)(=O)CCO)cc1
|
C[C@H]CNC=O)ccnco5))))))CCN6C=O)CccccS=O)=O)CCO))))cc6
|
[C][C@H1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][O][Ring1][Branch1][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C][O][C][=C][Ring1][N]
|
c16ccc(S(=O)(=O)CCO)cc1.C[C@H]1CN3CCN14.c15cnco1.C4(=O)C6.C35=O
|
C=C(C)[C@@H](O)CC(=O)NC1(CNC(=O)Cc2cc3ccccc3s2)CCCCC1
|
C=CC)[C@@H]O)CC=O)NCCNC=O)Ccccccccc6s9)))))))))))))CCCCC6
|
[C][=C][Branch1][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][C][C][C][C][Ring2][Ring1][Ring2]
|
c18cc2ccccc2s1.C=C(C)[C@@H](O)CC4=O.C169CCCCC1.C5(=O)C8.N46.C79.N57
|
CN(C[C@H]1CCN(C(=O)c2ccccc2OC2CC2)C1)C(=O)[C@H]1C2C[C@@H]3C1[C@@H]3C2
|
CNC[C@H]CCNC=O)cccccc6OCCC3)))))))))))C5))))))C=O)[C@H]CC[C@@H]C5[C@@H]3C6
|
[C][N][Branch2][Ring1][=C][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Ring1][C][Ring1][P][C][=Branch1][C][=O][C@H1][C][C][C@@H1][C][Ring1][Branch1][C@@H1][Ring1][Ring1][C][Ring1][=Branch1]
|
c1%10ccccc17.[C@H]19C2C[C@@H]3C1[C@@H]3C2.[C@H]1%11CCN4C1.CN58.C4%10=O.C16CC1.C59=O.C8%11.O67
|
CO[C@@H]1CN(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]1C[C@@H]2C[C@@H]2C1)c1cccnc1
|
CO[C@@H]CNC)C[C@H]5NC=O)[C@@H]NC=O)[C@H]C[C@@H]C[C@@H]3C6))))))))ccccnc6
|
[C][O][C@@H1][C][N][Branch1][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
[C@@H]15CN(C)C[C@H]17.[C@H]18C[C@@H]2C[C@@H]2C1.c19cccnc1.C3(=O)[C@@H]69.C48=O.CO5.N37.N46
|
CCC[C@@H](C)CC(=O)NC1(C2(O)CCN(C(=O)c3ccc(O)cc3C)CC2)CC1
|
CCC[C@@H]C)CC=O)NCCO)CCNC=O)ccccO)cc6C))))))))CC6))))))CC3
|
[C][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=C][C][Branch1][C][O][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][C][Ring1][P][C][C][Ring2][Ring1][Ring2]
|
C16(C2(O)CCN5CC2)CC1.CCC[C@@H](C)CC4=O.c17ccc(O)cc1C.C57=O.N46
|
O=C(NCC1(C(=O)N2CC(CC3CC3)C2)CCCCC1)c1ccn(C2CC2)n1
|
O=CNCCC=O)NCCCCCC3))))C4)))))CCCCC6))))))))cccnCCC3)))n5
|
[O][=C][Branch2][Ring1][S][N][C][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][Ring1][Branch2][C][C][C][C][C][Ring1][S][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=Ring1][Branch2]
|
C189CCCCC1.c17ccn%12n1.N15CC%10C1.O=C47.C58=O.C1%11CC1.C1%12CC1.N46.C69.C%10%11
|
CCOC[C@H](C)CNC(=O)[C@@H]1C[C@@H](NC(=O)COCCCN=[N+]=[N-])C12CCC2
|
CCOC[C@H]C)CNC=O)[C@@H]C[C@@H]NC=O)COCCCN=[N+]=[N-]))))))))))C4CCC4
|
[C][C][O][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][O][C][C][C][N][=N+1][=N-1][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
[C@@H]1%11C[C@@H]%10C12CCC2.C8CCN=[N+]=[N-].C6[C@H](C)C9.C4(=O)C7.C3%11=O.CC5.O56.N39.N4%10.O78
|
CC[C@H](NC(N)=O)C(=O)NC[C@H]1CCO[C@H]1C(=O)Nc1ccc(OC)cc1
|
CC[C@H]NCN)=O)))C=O)NC[C@H]CCO[C@H]5C=O)NccccOC))cc6
|
[C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]
|
c18ccc5cc1.CC[C@H]6C3=O.[C@H]1%10CCO[C@H]19.C2(N)=O.C49=O.N26.N37.C7%10.N48.O5C
|
CO[C@H](C)CNC(=O)[C@H](CC(C)(C)O)NC(=O)OC(C)(C)C
|
CO[C@H]C)CNC=O)[C@H]CCC)C)O)))NC=O)OCC)C)C
|
[C][O][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
C2(=O)[C@@H]7CC(C)(C)O.[C@@H]4(C)C6.C5(C)(C)C.C13=O.CO4.N26.N37.O15
|
CCOC(=O)N1CCC(C(=O)NC[C@@H]2CCC[C@@H]2NC(=O)C23CCC2CC3)CC1
|
CCOC=O)NCCCC=O)NC[C@@H]CCC[C@@H]5NC=O)CCCC4CC6))))))))))))))))CC6
|
[C][C][O][C][=Branch1][C][=O][N][C][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][Ring1][Ring2][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
N16CCC%12CC1.[C@@H]15CCC[C@@H]1%11.C12%13CCC1CC2.C46=O.C7%12=O.C8%13=O.CC9.O49.N7%10.C%105.N8%11
|
COCC1(CNC(=O)C2CCC(NC(C)=O)CC2)CN(C(=O)[C@@H]2COCCO2)C1
|
COCCCNC=O)CCCCNCC)=O)))CC6)))))))))CNC=O)[C@@H]COCCO6)))))))C4
|
[C][O][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][C][Ring1][#Branch2][C][N][Branch1][=N][C][=Branch1][C][=O][C@@H1][C][O][C][C][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch2]
|
C1%11CCC9CC1.C1%124CN6C1.[C@@H]1%10COCCO1.C3%11=O.C5(C)=O.C6%10=O.CO7.C7%12.C84.N38.N59
|
CCN1CCCC[C@H]1CNC(=O)[C@@H]1CN(C(=O)C=Cc2ccncc2)CCO1
|
CCNCCCC[C@H]6CNC=O)[C@@H]CNC=O)C=Ccccncc6)))))))))CCO6
|
[C][C][N][C][C][C][C][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][O][Ring1][S]
|
N15CCCC[C@H]19.[C@@H]17CN4CCO1.C=8c1ccncc1.C4(=O)C=8.C37=O.CC5.C69.N36
|
C[C@H](NC(=O)C[C@@H](NC(=O)C1=C(Cl)CCOC1)C(F)(F)F)[C@H](O)C(F)F
|
C[C@H]NC=O)C[C@@H]NC=O)C=CCl)CCOC6))))))))CF)F)F))))))[C@H]O)CF)F
|
[C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][C][O][C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F][C@H1][Branch1][C][O][C][Branch1][C][F][F]
|
C2(=O)C[C@@H]5C(F)(F)F.C3(=O)C1=C(Cl)CCOC1.C[C@H]4[C@H](O)C(F)F.N24.N35
|
CN(C(=O)c1ccc(Cl)cn1)[C@H]1CC[C@@H](NC(=O)C2CC[S+]([O-])CC2)C1
|
CNC=O)ccccCl)cn6)))))))[C@H]CC[C@@H]NC=O)CCC[S+][O-])CC6))))))))C5
|
[C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C@H1][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][S+1][Branch1][C][O-1][C][C][Ring1][#Branch1][C][Ring1][#C]
|
c17ccc(Cl)cn1.C18CC[S+]([O-])CC1.[C@H]15CC[C@@H]6C1.CN35.C37=O.C48=O.N46
|
C#Cc1ccc(C(=O)N2CC[C@](OC)(C(=O)N3CC[C@@]4(CCO4)C3)C2)o1
|
C#CccccC=O)NCC[C@]OC))C=O)NCC[C@@]CCO4)))C5))))))C5))))))o5
|
[C][#C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C@][Branch1][Ring1][O][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][=Branch1][C][C][O][Ring1][Ring2][C][Ring1][Branch2][C][Ring1][P][O][Ring2][Ring1][Branch2]
|
N16CC[C@@]2(CCO2)C1.C#Cc1ccc8o1.N15CC[C@]79C1.C58=O.C69=O.O7C
|
CN1CC(C(=O)N2CC(C)(C)C[C@@H]2CC(=O)NCc2nn(C)c(=O)n2C)C1
|
CNCCC=O)NCCC)C)C[C@@H]5CC=O)NCcnnC)c=O)n5C))))))))))))))))C4
|
[C][N][C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch2]
|
N13CC(C)(C)C[C@@H]17.c18nn(C)c(=O)n1C.CN1CC6C1.C7C4=O.C36=O.N45.C58
|
COC[C@@H]1CN(C(=O)CCC2(NC(=O)[C@@H]3C[C@H]3OC(C)=O)CCCC2)CCO1
|
COC[C@@H]CNC=O)CCCNC=O)[C@@H]C[C@H]3OCC)=O))))))))CCCC5))))))))CCO6
|
[C][O][C][C@@H1][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][O][C][Branch1][C][C][=O][C][C][C][C][Ring1][#C][C][C][O][Ring2][Ring1][=Branch2]
|
[C@@H]1%11CN5CCO1.C19%12CCCC1.C5(=O)CC%12.[C@@H]1%10C[C@H]18.C6%10=O.C4(C)=O.CO7.C7%11.N69.O48
|
O=C(NCC1(F)CN(C(=O)[C@@H]2CC23CCC2(CC2)CC3)C1)[C@H]1C=CCC1
|
O=CNCCF)CNC=O)[C@@H]CC3CCCCC3))CC6)))))))))C4))))))[C@H]C=CCC5
|
[O][=C][Branch2][Ring2][Branch1][N][C][C][Branch1][C][F][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][C][Ring1][Branch2][C][Ring1][P][C@H1][C][=C][C][C][Ring1][Branch1]
|
[C@@H]18CC12CCC1(CC1)CC2.C19(F)CN5C1.[C@H]17C=CCC1.O=C47.C58=O.N46.C69
|
C=CCC1(NC(=O)C(C)=Cc2ccco2)CCN(C(=O)c2snnc2CC)CC1
|
C=CCCNC=O)CC)=Ccccco5)))))))))CCNC=O)csnnc5CC))))))))CC6
|
[C][=C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][C][=C][C][=C][O][Ring1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][C][Ring2][Ring1][#Branch2]
|
C159CCN4CC1.C=7c1ccco1.c16snnc18.C3(=O)C=7C.C=CC9.C46=O.N35.C8C
|
CC1=C(C(=O)N2CCO[C@@H]([C@H](C)NC(=O)CCCC(F)(F)Br)C2)CCO1
|
CC=CC=O)NCCO[C@@H][C@H]C)NC=O)CCCCF)F)Br))))))))C6)))))))CCO5
|
[C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][O][C@@H1][Branch2][Ring1][Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][Br][C][Ring2][Ring1][C][C][C][O][Ring2][Ring1][=Branch2]
|
C4(=O)CCCC(F)(F)Br.CC1=C(C3=O)CCO1.N13CCO[C@@H]6C1.[C@@H]56C.N45
|
CCO[C@@H](C)C(=O)N1CCC[C@H]1CN(C(=O)c1cnsc1C)C1CC1
|
CCO[C@@H]C)C=O)NCCC[C@H]5CNC=O)ccnsc5C)))))))CCC3
|
[C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=N][S][C][=Ring1][Branch1][C][C][C][C][Ring1][Ring1]
|
N12CCC[C@H]19.c18cnsc1C.[C@H]5(C)C2=O.N367.C38=O.C17CC1.CC4.O45.C69
|
C/C=C/C[C@H](CC)C(=O)NC1(C(=O)NCC(C)(C)CC(F)F)CC(CO)C1
|
C/C=C/C[C@H]CC))C=O)NCC=O)NCCC)C)CCF)F)))))))CCCO))C4
|
[C][/C][=C][/C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][F][F][C][C][Branch1][Ring1][C][O][C][Ring1][P]
|
C=7C[C@H](CC)C2=O.C5C(C)(C)CC(F)F.C146CC8C1.C36=O.CC=7.N24.N35.C8O
|
CCn1cc([C@H](C)NC(=O)C23CC(C)(CN2C(=O)[C@@]24CCC[C@H]2C4(F)F)C3)cn1
|
CCncc[C@H]C)NC=O)CCCC)CN5C=O)[C@@]CCC[C@H]5C6F)F))))))))))C4)))))))cn5
|
[C][C][N][C][=C][Branch2][Ring2][N][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch2][Ring1][#Branch1][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1][Branch1][C][F][F][C][Ring1][P][C][=N][Ring2][Ring1][O]
|
C128CC(C)(CN16)C2.[C@@]129CCC[C@H]1C2(F)F.n1%10cc%11cn1.[C@@H]7%11C.C58=O.C69=O.CC%10.N57
|
C[C@@H](F)CC(=O)N[C@@H]1C=CCN(C(=O)c2cc3c(Br)cccc3cn2)C1
|
C[C@@H]F)CC=O)N[C@@H]C=CCNC=O)ccccBr)cccc6cn%10)))))))))))C6
|
[C][C@@H1][Branch1][C][F][C][C][=Branch1][C][=O][N][C@@H1][C][=C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=N][Ring1][O][C][Ring2][Ring1][Ring1]
|
c17cc2c(Br)cccc2cn1.[C@@H]16C=CCN5C1.C[C@@H](F)CC4=O.C57=O.N46
|
Cc1cc(Br)ccc1CCC(=O)N[C@H]1C=CCN(C(=O)[C@@H]2CC[C@@H](O)C2)C1
|
CcccBr)ccc6CCC=O)N[C@H]C=CCNC=O)[C@@H]CC[C@@H]O)C5))))))C6
|
[C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][=C]
|
Cc1cc(Br)ccc17.[C@H]15C=CCN4C1.[C@@H]16CC[C@@H](O)C1.C7CC3=O.C46=O.N35
|
C=CCCCCCC(=O)NC[C@@]12CCCC[C@@H]1CN(C(=O)CCOCCC)C2
|
C=CCCCCCC=O)NC[C@@]CCCC[C@@H]6CNC=O)CCOCCC)))))))C9
|
[C][=C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C@@][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C][C][O][C][C][C][C][Ring1][P]
|
[C@@]128CCCC[C@@H]1CN4C2.C=CCCCCCC3=O.C4(=O)CC5.C6CC.N37.C78.O56
|
CCn1nccc1C(=O)NC[C@@H]1CCN1C(=O)c1ccccc1[C@@H]1CC1(F)F
|
CCnnccc5C=O)NC[C@@H]CCN4C=O)cccccc6[C@@H]CC3F)F
|
[C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
c16ccccc19.n17nccc15.[C@@H]18CCN13.[C@@H]19CC1(F)F.C25=O.C36=O.CC7.N24.C48
|
Cc1cc(Br)c([C@H](C(=O)Nc2ccc(F)cc2)N(C)CC(C)(C)C#N)s1
|
CcccBr)c[C@H]C=O)NccccF)cc6))))))))NC)CCC)C)C#N))))))s5
|
[C][C][=C][C][Branch1][C][Br][=C][Branch2][Ring2][C][C@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][#N][S][Ring2][Ring1][=Branch2]
|
Cc1cc(Br)c7s1.c16ccc(F)cc1.C5C(C)(C)C#N.[C@@H]47C3=O.N45C.N36
|
Cc1ccc(C(=O)N[C@](C)(CNC(=O)CCc2csnn2)C(C)C)cc1C
|
CccccC=O)N[C@]C)CNC=O)CCccsnn5))))))))))CC)C)))))cc6C
|
[C][C][=C][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][=C][S][N][=N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2][C]
|
Cc1ccc7cc1C.[C@]5(C)(C6)C(C)C.C4(=O)CC8.c18csnn1.C37=O.N35.N46
|
CCCC[C@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C[C@H]2NC(=O)CSS(C)(=O)=O)C(C)C
|
CCCC[C@H]C=O)N[C@@H]C[C@H]CC[C@@H]6C[C@H]6NC=O)CSSC)=O)=O))))))))))))))))CC)C
|
[C][C][C][C][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][C][C]
|
CCCC[C@H](C3=O)C(C)C.[C@@H]16C[C@H]2CC[C@@H]1C[C@H]27.S5S(C)(=O)=O.C4(=O)C5.N36.N47
|
O=C(N=c1[nH][nH]c2ccccc12)[C@@H]1C[C@@H]1c1cccc(-c2c(F)cccc2F)c1
|
O=CN=c[nH][nH]cccccc96))))))))))[C@@H]C[C@@H]3ccccc-ccF)cccc6F)))))))c6
|
[O][=C][Branch1][#C][N][=C][NH1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][C][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][=C][Ring1][=C]
|
O=C3N=c1[nH][nH]c2ccccc12.c15c(F)cccc1F.c14cccc5c1.[C@@H]13C[C@@H]14
|
CC[C@H]1CCOCCN1C(=O)[C@]1(C)C=CCN1C(=O)COCC1CC1
|
CC[C@H]CCOCCN7C=O)[C@]C)C=CCN5C=O)COCCCC3
|
[C][C][C@H1][C][C][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@][Branch1][C][C][C][=C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][C][C][C][Ring1][Ring1]
|
[C@H]17CCOCCN12.[C@@]16(C)C=CCN13.C3(=O)C4.C26=O.C18CC1.CC7.O45.C58
|
CNC(=O)c1ccc(S(=O)(=O)NCc2cc[nH]n2)cc1
|
CNC=O)ccccS=O)=O)NCccc[nH]n5))))))))cc6
|
[C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][S]
|
c16ccc(S5(=O)=O)cc1.c17cc[nH]n1.C36=O.CN3.N45.C47
|
CC[C@H]1CN(C(=O)NCc2cn(CC)nn2)CCN1C[C@H](C)O
|
CC[C@H]CNC=O)NCccnCC))nn5))))))))CCN6C[C@H]C)O
|
[C][C][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][Ring1][C][C][N][=N][Ring1][#Branch1][C][C][N][Ring1][P][C][C@H1][Branch1][C][C][O]
|
[C@H]18CN3CCN16.c19cn7nn1.C6[C@H](C)O.C34=O.CC8.N45.C59.C7C
|
C[C@@H](C(=O)NCCCCCNC(=O)c1cn(C)c2ccc(F)cc12)c1ccsn1
|
C[C@@H]C=O)NCCCCCNC=O)ccnC)ccccF)cc96))))))))))))))))))cccsn5
|
[C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][O][Ring1][#Branch1][C][C][=C][S][N][=Ring1][Branch1]
|
c17cn(C)c2ccc(F)cc12.C5CCCC6.C[C@H]8C3=O.c18ccsn1.C47=O.N35.N46
|
CC[C@H](C)[C@@H](CC(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1)NC(=O)CCn1ccnc1
|
CC[C@H]C)[C@@H]CC=O)NC[C@@H]CC[C@H]O)[C@@H]5C8))))))))))NC=O)CCnccnc5
|
[C][C][C@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch1][C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][N][C][=C][N][=C][Ring1][Branch1]
|
CC[C@H](C)[C@H]5CC3=O.N13C[C@@H]2CC[C@H](O)[C@@H]2C1.C4(=O)CC6.n16ccnc1.N45
|
Cc1ccc(F)c(C(=O)N2CCC[C@](CO)(CNC(=O)CN3CC(C)(C)C3)C2)c1
|
CccccF)cC=O)NCCC[C@]CO))CNC=O)CNCCC)C)C4))))))))C6)))))))c6
|
[C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][Ring1][C][O][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][N][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N]
|
Cc1ccc(F)c8c1.N14CCC[C@]9%10C1.N17CC(C)(C)C1.C5(=O)C7.C48=O.C9O.C6%10.N56
|
CN(CC(=O)O)C(=O)[C@H]1[C@@H]2CN(C(=O)CN3CCN(C)C3=O)C[C@@H]21
|
CNCC=O)O)))C=O)[C@H][C@@H]CNC=O)CNCCNC)C5=O))))))))C[C@@H]56
|
[C][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C@H1][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C@@H1][Ring1][#C][Ring1][S]
|
[C@@H]17[C@H]2CN5C[C@@H]12.N18CCN(C)C1=O.C6C(=O)O.C5(=O)C8.CN46.C47=O
|
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