SMILES
stringlengths 17
123
| Deep SMILES
stringlengths 15
129
| SELFIES
stringlengths 71
378
| SAFE
stringlengths 23
156
|
|---|---|---|---|
O=C(NS(=O)(=O)Cc1cc(F)ccc1Br)[C@H]1CSCN1C(=O)C1CCC1
|
O=CNS=O)=O)CcccF)ccc6Br))))))))))[C@H]CSCN5C=O)CCCC4
|
[O][=C][Branch2][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Br][C@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2]
|
c17cc(F)ccc1Br.[C@H]15CSCN13.S4(=O)(=O)C7.C16CCC1.O=C25.C36=O.N24
|
C[C@H](c1ccc(F)cc1F)S(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C1CCC1
|
C[C@H]ccccF)cc6F)))))))S=O)=O)NC=O)[C@H]CSCN5C=O)CCCC4
|
[C][C@H1][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2]
|
c17ccc(F)cc1F.C[C@H]7S4(=O)=O.[C@H]15CSCN13.C16CCC1.C25=O.C36=O.N24
|
O=C(NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CSCN1C(=O)C1CCC1
|
O=CNS=O)=O)Ccccc[N+]=O)[O-]))cc6Br))))))))))[C@@H]CSCN5C=O)CCCC4
|
[O][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Br][C@@H1][C][S][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2]
|
c17ccc([N+](=O)[O-])cc1Br.[C@@H]15CSCN13.S4(=O)(=O)C7.C16CCC1.O=C25.C36=O.N24
|
C[C@@H](C[S@@+](C)[O-])C(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
C[C@@H]C[S@@+]C)[O-])))C=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C@@H1][Branch1][#Branch1][C][S@@+1][Branch1][C][C][O-1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.C[C@@H](C[S@@+](C)[O-])C5=O.C17CC2(COC2)C1.C6(=O)C7
|
CC(C)[C@H](C)CC(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
CCC)[C@H]C)CC=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C][Branch1][C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.CC(C)[C@H](C)CC5=O.C17CC2(COC2)C1.C6(=O)C7
|
CO[C@@H](C)C(=O)N1CC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C[C@H]1C
|
CO[C@@H]C)C=O)NCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C[C@H]5C
|
[C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][C@H1][Ring2][Ring1][Ring2][C]
|
N15CC2(CCN6CC2)C[C@H]1C.C18CC2(COC2)C1.[C@H]7(C)C5=O.C6(=O)C8.CO7
|
CC(C)(C)SCC(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
CCC)C)SCC=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C][Branch1][C][C][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.C19CC2(COC2)C1.CC7(C)C.C8C5=O.C6(=O)C9.S78
|
C[C@H](O)C(=O)N1CC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C[C@@H]1C
|
C[C@H]O)C=O)NCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C[C@@H]5C
|
[C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][C@@H1][Ring2][Ring1][Ring2][C]
|
N15CC2(CCN6CC2)C[C@@H]1C.C17CC2(COC2)C1.C[C@H](O)C5=O.C6(=O)C7
|
CC(C)[C@@H](O)C(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
CCC)[C@@H]O)C=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.CC(C)[C@@H](O)C5=O.C17CC2(COC2)C1.C6(=O)C7
|
O=C(CC1CC2(COC2)C1)N1CCC2(CC1)CCN(C(=O)C(F)(F)CO)C2
|
O=CCCCCCOC4)))C4)))))NCCCCC6))CCNC=O)CF)F)CO))))C5
|
[O][=C][Branch1][#C][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][O][C][Ring1][=C]
|
N13CCC2(CC1)CCN4C2.C15CC2(COC2)C1.C4(=O)C(F)(F)CO.O=C3C5
|
CCOCCCC(=O)N1CC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C[C@H]1C
|
CCOCCCC=O)NCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C[C@H]5C
|
[C][C][O][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][C@H1][Ring2][Ring1][Ring2][C]
|
N15CC2(CCN6CC2)C[C@H]1C.C19CC2(COC2)C1.C8CCC5=O.C6(=O)C9.CC7.O78
|
C[C@H]1CC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)CN1C(=O)CCC(C)(C)C
|
C[C@H]CCCCNC=O)CCCCCOC4)))C4))))))CC6)))))CN5C=O)CCCC)C)C
|
[C][C@H1][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][N][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C]
|
C[C@H]1CC2(CCN5CC2)CN16.C6(=O)CCC(C)(C)C.C17CC2(COC2)C1.C5(=O)C7
|
CC[C@@H](C)CC(=O)N1CC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C[C@H]1C
|
CC[C@@H]C)CC=O)NCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C[C@H]5C
|
[C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][C@H1][Ring2][Ring1][Ring2][C]
|
N15CC2(CCN6CC2)C[C@H]1C.CC[C@@H](C)CC5=O.C17CC2(COC2)C1.C6(=O)C7
|
CC(C)CCC(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
CCC)CCC=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.CC(C)CCC5=O.C17CC2(COC2)C1.C6(=O)C7
|
CC[C@@H](O)C(=O)N1CCC2(CCN(C(=O)CC3CC4(COC4)C3)CC2)C1
|
CC[C@@H]O)C=O)NCCCCCNC=O)CCCCCOC4)))C4))))))CC6)))))C5
|
[C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][O][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N15CCC2(CCN6CC2)C1.C17CC2(COC2)C1.CC[C@@H](O)C5=O.C6(=O)C7
|
C=C=C(C)CC(=O)N1CCC2(CCCN(C(=O)c3cnc4cccnn34)C2)CC1
|
C=C=CC)CC=O)NCCCCCCNC=O)ccnccccnn96))))))))))C6)))))CC6
|
[C][=C][=C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
N15CCC2(CCCN6C2)CC1.c17cnc2cccnn12.C=C=C(C)CC5=O.C67=O
|
CC[C@@](C)(F)C(=O)N1CCC2(CCCN(C(=O)c3cnc4cccnn34)C2)CC1
|
CC[C@@]C)F)C=O)NCCCCCCNC=O)ccnccccnn96))))))))))C6)))))CC6
|
[C][C][C@@][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
N15CCC2(CCCN6C2)CC1.c17cnc2cccnn12.CC[C@@](C)(F)C5=O.C67=O
|
COC[C@H](C)C(=O)N1CCC2(CCCN(C(=O)c3cnc4cccnn34)C2)CC1
|
COC[C@H]C)C=O)NCCCCCCNC=O)ccnccccnn96))))))))))C6)))))CC6
|
[C][O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
N15CCC2(CCCN6C2)CC1.c18cnc2cccnn12.C7[C@H](C)C5=O.C68=O.CO7
|
CC[C@@H](C#N)C(=O)N1CCC2(CCCN(C(=O)c3cnc4cccnn34)C2)CC1
|
CC[C@@H]C#N))C=O)NCCCCCCNC=O)ccnccccnn96))))))))))C6)))))CC6
|
[C][C][C@@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=N][N][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][P][C][C][Ring2][Ring1][=Branch1]
|
N15CCC2(CCCN6C2)CC1.c17cnc2cccnn12.CC[C@@H](C#N)C5=O.C67=O
|
COC[C@]1(C(=O)NCCC23CC(CCO2)C3)C=CCN1C(=O)[C@@]12CSC[C@H]1C2
|
COC[C@]C=O)NCCCCCCCO6)))C4))))))))C=CCN5C=O)[C@@]CSC[C@H]5C6
|
[C][O][C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][#Branch1][C][=C][C][N][Ring1][P][C][=Branch1][C][=O][C@@][C][S][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
[C@]18%10C=CCN15.C12%11CC(CCO1)C2.[C@@]129CSC[C@H]1C2.C48=O.C7C%11.C59=O.CO6.C6%10.N47
|
C[C@]1(C(=O)NCCC23CC(CCO2)C3)C=CCN1C(=O)[C@]12CSC[C@H]1C2
|
C[C@]C=O)NCCCCCCCO6)))C4))))))))C=CCN5C=O)[C@]CSC[C@H]5C6
|
[C][C@][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][#Branch1][C][=C][C][N][Ring1][P][C][=Branch1][C][=O][C@][C][S][C][C@H1][Ring1][Branch1][C][Ring1][=Branch1]
|
C[C@]17C=CCN15.C129CC(CCO1)C2.[C@]128CSC[C@H]1C2.C47=O.C6C9.C58=O.N46
|
CN(CCOC(=O)c1ccccc1S[C@H]1CC(=O)NC1=O)c1ccccc1
|
CNCCOC=O)cccccc6S[C@H]CC=O)NC5=O)))))))))))))))))cccccc6
|
[C][N][Branch2][Ring1][N][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C@H1][C][C][=Branch1][C][=O][N][C][Ring1][=Branch1][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
c16ccccc18.[C@H]17CC(=O)NC1=O.c15ccccc1.CN45.C4C3.C26=O.O23.S78
|
CC1(C)CO[C@@H]1C(=O)N1CCC(c2cc(CNC(=O)C[C@@H]3CCCO3)on2)CC1
|
CCC)CO[C@@H]4C=O)NCCCcccCNC=O)C[C@@H]CCCO5)))))))))on5)))))CC6
|
[C][C][Branch1][C][C][C][O][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][O][Ring1][Branch1][O][N][=Ring1][#C][C][C][Ring2][Ring1][Branch1]
|
N14CCC%10CC1.CC1(C)CO[C@@H]17.c1%10cc9on1.[C@@H]18CCCO1.C5(=O)C8.C47=O.C69.N56
|
C[C@]1(C(=O)NC[C@@]23CCC[C@@H](CN(C(=O)c4csc(Cl)c4)C2)C3)CCNC1=O
|
C[C@]C=O)NC[C@@]CCC[C@@H]CNC=O)ccscCl)c5))))))C8)))C6)))))))))CCNC5=O
|
[C][C@][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@@][C][C][C][C@@H1][Branch2][Ring1][=Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=C][Ring1][=Branch1][C][Ring1][S][C][Ring1][P][C][C][N][C][Ring2][Ring1][#Branch2][=O]
|
[C@@]12%10CCC[C@@H](CN6C1)C2.C[C@]18CCNC1=O.c19csc(Cl)c1.C58=O.C69=O.N57.C7%10
|
O=C(c1cccc2ccncc12)N1CCN(C(=O)C[C@@H]2CC2(Cl)Cl)[C@H](C2CC2)C1
|
O=Ccccccccncc%106))))))))))NCCNC=O)C[C@@H]CC3Cl)Cl))))))[C@H]CCC3)))C6
|
[O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=N][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][Cl][Cl][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][P]
|
c15cccc2ccncc12.N13CCN4[C@H]7C1.[C@@H]16CC1(Cl)Cl.C4(=O)C6.O=C35.C17CC1
|
CCC1=NO[C@@H](C(=O)N[C@H](C)[C@@H]2CCCN2C(=O)CC2(N3CCCC3)COC2)C1
|
CCC=NO[C@@H]C=O)N[C@H]C)[C@@H]CCCN5C=O)CCNCCCC5)))))COC4))))))))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][=Branch2][C][Ring2][Ring1][O]
|
CCC1=NO[C@@H]8C1.[C@@H]19CCCN15.C17%10COC1.N17CCCC1.C5(=O)C%10.C48=O.[C@H]69C.N46
|
CCC1=NO[C@@H](C(=O)NC[C@@]2(C)CCCN2C(=O)CC2(N3CCCC3)COC2)C1
|
CCC=NO[C@@H]C=O)NC[C@@]C)CCCN5C=O)CCNCCCC5)))))COC4))))))))))))))C5
|
[C][C][C][=N][O][C@@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C][O][C][Ring1][=Branch2][C][Ring2][Ring1][O]
|
CCC1=NO[C@@H]8C1.[C@]19(C)CCCN15.C17%10COC1.N17CCCC1.C5(=O)C%10.C48=O.N46.C69
|
CCCn1cc(CNC(=O)C2CN(C(=O)c3cnn(C4CCOCC4)c3)C2)cn1
|
CCCnccCNC=O)CCNC=O)ccnnCCCOCC6))))))c5))))))C4)))))))cn5
|
[C][C][C][N][C][=C][Branch2][Ring2][Branch1][C][N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][C][C][O][C][C][Ring1][=Branch1][C][=Ring1][O][C][Ring1][P][C][=N][Ring2][Ring1][#Branch2]
|
n1%10cc%11cn1.c19cnn%12c1.C1%12CCOCC1.C18CN6C1.CCC%10.C58=O.C69=O.C7%11.N57
|
O=C(C1CCSCC1)N1C[C@@H]2C[C@H](C1)[C@H](NC(=O)[C@]1(Cl)CC13CCC3)C2
|
O=CCCCSCC6))))))NC[C@@H]C[C@H]C6)[C@H]NC=O)[C@]Cl)CC3CCC4))))))))C5
|
[O][=C][Branch1][=Branch2][C][C][C][S][C][C][Ring1][=Branch1][N][C][C@@H1][C][C@H1][Branch1][Ring2][C][Ring1][=Branch1][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C@][Branch1][C][Cl][C][C][Ring1][Ring2][C][C][C][Ring1][Ring2][C][Ring1][S]
|
N14C[C@@H]2C[C@H](C1)[C@H]6C2.[C@@]18(Cl)CC12CCC2.C17CCSCC1.O=C47.C58=O.N56
|
O=C(N[C@@H]1C[C@H]2C[C@@H]1CN(C(=O)C1(O)CCSCC1)C2)[C@H]1CC12CCC2
|
O=CN[C@@H]C[C@H]C[C@@H]5CNC=O)CO)CCSCC6)))))))C6)))))))))[C@H]CC3CCC4
|
[O][=C][Branch2][Ring1][#C][N][C@@H1][C][C@H1][C][C@@H1][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][Branch1][C][O][C][C][S][C][C][Ring1][#Branch1][C][Ring1][#C][C@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2]
|
[C@@H]15C[C@H]2C[C@@H]1CN4C2.C17(O)CCSCC1.[C@H]16CC12CCC2.O=C36.C47=O.N35
|
C=C1COc2c(C(=O)N(C)CCCCNC(=O)[C@@H]3CCCC(=O)N3C)cnn2C1
|
C=CCOccC=O)NC)CCCCNC=O)[C@@H]CCCC=O)N6C)))))))))))))))cnn5C9
|
[C][=C][C][O][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][C][=N][N][Ring2][Ring1][Branch2][C][Ring2][Ring1][N]
|
C=C1COc2c9cnn2C1.[C@@H]18CCCC(=O)N1C.C6CCC7.C49=O.N46C.C58=O.N57
|
CC[C@H](C)CC(=O)C(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CC[C@H]C)CC=O)C=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
CC[C@H](C)CC(=O)C4=O.N15CCc2nocc2C1.[C@H]16C[C@H]7C12CCC2.C57=O.N46
|
COC(=O)[C@H]1C[C@@H](C(=O)N2CCc3noc(N)c3C2)C12CCC2
|
COC=O)[C@H]C[C@@H]C=O)NCCcnocN)c5C9))))))))))C4CCC4
|
[C][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=N][O][C][Branch1][C][N][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring1][S][C][C][C][Ring1][Ring2]
|
N15CCc2noc(N)c2C1.[C@H]16C[C@@H]7C12CCC2.C46=O.C57=O.CO4
|
C[C@@]1(C(=O)N2CCc3nocc3C2)CCC12CCC2
|
C[C@@]C=O)NCCcnocc5C9))))))))))CCC4CCC4
|
[C][C@@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N14CCc2nocc2C1.C[C@@]15CCC12CCC2.C45=O
|
C=CCCOCC(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
C=CCCOCC=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][=C][C][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]18C[C@H]9C12CCC2.C=CCC6.C7C4=O.C59=O.O67.N48
|
O=C(CSC(F)(F)F)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
O=CCSCF)F)F))))N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[O][=C][Branch1][O][C][S][C][Branch1][C][F][Branch1][C][F][F][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]17C[C@H]8C12CCC2.S6C(F)(F)F.O=C4C6.C58=O.N47
|
CC[C@H](C)C(=O)C(=O)N[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CC[C@H]C)C=O)C=O)N[C@@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.CC[C@H](C)C(=O)C4=O.[C@@H]16C[C@@H]7C12CCC2.C57=O.N46
|
CCSCCC(=O)N[C@@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CCSCCC=O)N[C@@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][S][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@@H]18C[C@H]9C12CCC2.C7CC4=O.C59=O.CC6.S67.N48
|
CC(C)C=CC(=O)N[C@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CCC)C=CC=O)N[C@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]16C[C@@H]7C12CCC2.CC(C)C=8.C=8C4=O.C57=O.N46
|
C[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
C[C@@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C@@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N14CCc2nocc2C1.C[C@@H]1C[C@@H]5C12CCC2.C45=O
|
CCCCC/C=C/CC(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CCCCC/C=C/CC=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][C][C][C][/C][=C][/C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]16C[C@H]7C12CCC2.CCCCCC=8.C=8CC4=O.C57=O.N46
|
C=C[C@H](CCC)CC(=O)N[C@@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
C=C[C@H]CCC)))CC=O)N[C@@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][=C][C@H1][Branch1][Ring2][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
C=C[C@H](CCC)CC4=O.N15CCc2nocc2C1.[C@@H]16C[C@H]7C12CCC2.C57=O.N46
|
CCC=C(C)C(=O)N[C@@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CCC=CC)C=O)N[C@@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@@H]16C[C@H]7C12CCC2.C=8(C)C4=O.CCC=8.C57=O.N46
|
CSCCCC(=O)N[C@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CSCCCC=O)N[C@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][S][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]17C[C@@H]8C12CCC2.C6CCC4=O.C58=O.CS6.N47
|
C=C[C@H](CCC)CC(=O)N[C@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
C=C[C@H]CCC)))CC=O)N[C@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][=C][C@H1][Branch1][Ring2][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
C=C[C@H](CCC)CC4=O.N15CCc2nocc2C1.[C@H]16C[C@@H]7C12CCC2.C57=O.N46
|
N[C@@H]1C[C@@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
N[C@@H]C[C@@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[N][C@@H1][C][C@@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N14CCc2nocc2C1.N[C@@H]1C[C@@H]5C12CCC2.C45=O
|
N[C@@]1(C(=O)N2CCc3nocc3C2)C[C@H](O)C12CCC2
|
N[C@@]C=O)NCCcnocc5C9))))))))))C[C@H]O)C4CCC4
|
[N][C@@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C@H1][Branch1][C][O][C][Ring1][S][C][C][C][Ring1][Ring2]
|
N[C@@]15C[C@H](O)C12CCC2.N14CCc2nocc2C1.C45=O
|
COCCC(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
COCCC=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][O][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]17C[C@H]8C12CCC2.C6CC4=O.C58=O.CO6.N47
|
CC(=CC(=O)N[C@@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2)C(C)(C)C
|
CC=CC=O)N[C@@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4))))))))))CC)C)C
|
[C][C][=Branch2][Ring2][=Branch1][=C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2][C][Branch1][C][C][Branch1][C][C][C]
|
N15CCc2nocc2C1.[C@@H]16C[C@H]7C12CCC2.CC=8C(C)(C)C.C=8C4=O.C57=O.N46
|
CC(C)C=CC(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
CCC)C=CC=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N15CCc2nocc2C1.[C@H]16C[C@H]7C12CCC2.CC(C)C=8.C=8C4=O.C57=O.N46
|
COC(=O)NCC(=O)N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2
|
COC=O)NCC=O)N[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4
|
[C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2]
|
N17CCc2nocc2C1.[C@H]19C[C@H]%10C12CCC2.C8C6=O.C45=O.C7%10=O.CO4.N58.N69
|
O=C(N[C@H]1C[C@H](C(=O)N2CCc3nocc3C2)C12CCC2)[C@H](O)C(F)(F)F
|
O=CN[C@H]C[C@H]C=O)NCCcnocc5C9))))))))))C4CCC4))))))))[C@H]O)CF)F)F
|
[O][=C][Branch2][Ring1][P][N][C@H1][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=N][O][C][=C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring1][#C][C][C][C][Ring1][Ring2][C@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]
|
N15CCc2nocc2C1.O=C4[C@H](O)C(F)(F)F.[C@H]16C[C@H]7C12CCC2.C57=O.N46
|
CN(Cc1cccc(O)c1)C(=O)CN(CC1CC1)C(=O)CC1CC2(CC2)C1
|
CNCcccccO)c6)))))))C=O)CNCCCC3))))C=O)CCCCCC3))C4
|
[C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1]
|
c1%10cccc(O)c1.C19CC2(CC2)C1.C3(=O)C6.C4(=O)C9.CN35.N467.C18CC1.C5%10.C78
|
Cc1cccc(CNC(=O)CN(CC2CC2)C(=O)CC2CC3(CC3)C2)c1F
|
CcccccCNC=O)CNCCCC3))))C=O)CCCCCC3))C4)))))))))))c6F
|
[C][C][=C][C][=C][C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][F]
|
Cc1cccc%11c1F.C1%10CC2(CC2)C1.C4(=O)C7.C5(=O)C%10.N578.C19CC1.C6%11.N46.C89
|
CC1(C)CN(C(=O)c2csc(Cl)n2)CC[C@H]1C(=O)N1CC(N2CCNC2=O)C1
|
CCC)CNC=O)ccscCl)n5))))))CC[C@H]6C=O)NCCNCCNC5=O))))))C4
|
[C][C][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][C][C@H1][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][Ring1][#Branch2]
|
CC1(C)CN3CC[C@H]16.c15csc(Cl)n1.N17CCNC1=O.N14CC7C1.C35=O.C46=O
|
CC1(C)CN(C(=O)c2csc(Cl)n2)CC[C@@H]1C(=O)N1CC(N2CCNC2=O)C1
|
CCC)CNC=O)ccscCl)n5))))))CC[C@@H]6C=O)NCCNCCNC5=O))))))C4
|
[C][C][Branch1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][Cl][=N][Ring1][=Branch1][C][C][C@@H1][Ring1][#C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][Ring1][#Branch2]
|
CC1(C)CN3CC[C@@H]16.c15csc(Cl)n1.N17CCNC1=O.N14CC7C1.C35=O.C46=O
|
C[C@]1(O)CCC[C@@H]1n1cc([C@H]2CCN2C(=O)c2ccc3ccnc(O)c3n2)nn1
|
C[C@]O)CCC[C@@H]5ncc[C@H]CCN4C=O)ccccccncO)c6n%10)))))))))))))))nn5
|
[C][C@][Branch1][C][O][C][C][C][C@@H1][Ring1][=Branch1][N][C][=C][Branch2][Ring1][N][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][Branch1][C][O][C][Ring1][#Branch1][=N][Ring1][O][N][=N][Ring2][Ring1][=Branch1]
|
c15ccc2ccnc(O)c2n1.C[C@]1(O)CCC[C@@H]16.n16cc7nn1.[C@H]17CCN14.C45=O
|
C[C@]1(O)CCC[C@H]1n1cc([C@H]2CCN2C(=O)c2cc(Cl)c3ccncc3n2)nn1
|
C[C@]O)CCC[C@H]5ncc[C@H]CCN4C=O)cccCl)cccncc6n%10)))))))))))))))nn5
|
[C][C@][Branch1][C][O][C][C][C][C@H1][Ring1][=Branch1][N][C][=C][Branch2][Ring1][N][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][N][=C][C][Ring1][=Branch1][=N][Ring1][O][N][=N][Ring2][Ring1][=Branch1]
|
c15cc(Cl)c2ccncc2n1.C[C@]1(O)CCC[C@H]16.n16cc7nn1.[C@H]17CCN14.C45=O
|
O=C(NC[C@H]1CN(Cc2cccc3c2OCC3)CCO1)c1cccc2c1CCC2
|
O=CNC[C@H]CNCcccccc6OCC5))))))))))CCO6))))))))cccccc6CCC5
|
[O][=C][Branch2][Ring1][O][N][C][C@H1][C][N][Branch1][#C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1][C][C][O][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1]
|
c19cccc2c1OCC2.c17cccc2c1CCC2.[C@H]18CN6CCO1.O=C47.N45.C58.C69
|
CCN(CCNC(=O)[C@H]1Cc2ccccc2N(C)C1=O)C(=O)C=CC1CCC1
|
CCNCCNC=O)[C@H]Ccccccc6NC)C%10=O)))))))))))))))C=O)C=CCCCC4
|
[C][C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2]
|
[C@H]18Cc2ccccc2N(C)C1=O.C=9C1CCC1.C4(=O)C=9.N456.C6C7.C38=O.CC5.N37
|
CN1C(=O)[C@H](C(=O)N[C@](C)(CO)CNC(=O)C=CC2CCC2)Cc2ccccc21
|
CNC=O)[C@H]C=O)N[C@]C)CO))CNC=O)C=CCCCC4))))))))))))Ccccccc6%10
|
[C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N]
|
CN1C(=O)[C@H]7Cc2ccccc21.[C@@]5(C)(C6)CO.C=8C1CCC1.C4(=O)C=8.C37=O.N35.N46
|
C[C@H](CN(C)C(=O)C=CC1CCC1)NC(=O)[C@@H]1Cc2ccccc2N(C)C1=O
|
C[C@H]CNC)C=O)C=CCCCC4)))))))))NC=O)[C@@H]Ccccccc6NC)C%10=O
|
[C][C@H1][Branch2][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O]
|
[C@@H]17Cc2ccccc2N(C)C1=O.C=8C1CCC1.C[C@@H]5C6.C3(=O)C=8.N36C.C47=O.N45
|
CN(CCN(C)C(=O)[C@@H]1Cc2ccccc2N(C)C1=O)C(=O)C=CC1CCC1
|
CNCCNC)C=O)[C@@H]Ccccccc6NC)C%10=O)))))))))))))))C=O)C=CCCCC4
|
[C][N][Branch2][Ring1][=N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2]
|
[C@@H]17Cc2ccccc2N(C)C1=O.C=8C1CCC1.C4(=O)C=8.CN45.C5C6.N36C.C37=O
|
C=CC[C@@H](CNC(=O)[C@@]1(C)Cc2ccccc2NC1=O)NC(=O)C=CC1CCC1
|
C=CC[C@@H]CNC=O)[C@@]C)Ccccccc6NC%10=O))))))))))))))NC=O)C=CCCCC4
|
[C][=C][C][C@@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2]
|
[C@]17(C)Cc2ccccc2NC1=O.C=CC[C@H]5C6.C=8C1CCC1.C4(=O)C=8.C37=O.N36.N45
|
C[C@@H](CN(C)C(=O)C=CC1CCC1)NC(=O)[C@@H]1Cc2ccccc2N(C)C1=O
|
C[C@@H]CNC)C=O)C=CCCCC4)))))))))NC=O)[C@@H]Ccccccc6NC)C%10=O
|
[C][C@@H1][Branch2][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O]
|
[C@@H]17Cc2ccccc2N(C)C1=O.C=8C1CCC1.C[C@H]5C6.C3(=O)C=8.N36C.C47=O.N45
|
CN(CCNC(=O)C=CC1CCC1)C(=O)[C@H]1Cc2ccccc2N(C)C1=O
|
CNCCNC=O)C=CCCCC4))))))))))C=O)[C@H]Ccccccc6NC)C%10=O
|
[C][N][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O]
|
[C@H]17Cc2ccccc2N(C)C1=O.C=8C1CCC1.C3(=O)C=8.CN45.C5C6.C47=O.N36
|
C[C@@H](CN(C)C(=O)[C@H]1Cc2ccccc2N(C)C1=O)NC(=O)C=CC1CCC1
|
C[C@@H]CNC)C=O)[C@H]Ccccccc6NC)C%10=O))))))))))))))NC=O)C=CCCCC4
|
[C][C@@H1][Branch2][Ring1][N][C][N][Branch1][C][C][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2]
|
[C@H]17Cc2ccccc2N(C)C1=O.C=8C1CCC1.C[C@H]5C6.C4(=O)C=8.N36C.C37=O.N45
|
CC[C@H](CN(C)C(=O)C=CC1CCC1)NC(=O)[C@@]1(C)Cc2ccccc2NC1=O
|
CC[C@H]CNC)C=O)C=CCCCC4)))))))))NC=O)[C@@]C)Ccccccc6NC%10=O
|
[C][C][C@H1][Branch2][Ring1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O]
|
[C@]17(C)Cc2ccccc2NC1=O.CC[C@@H]5C6.C=8C1CCC1.C3(=O)C=8.N36C.C47=O.N45
|
C[C@H](NC(=O)C=CC1CCC1)[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2N(C)C1=O
|
C[C@H]NC=O)C=CCCCC4))))))))[C@@H]CO))NC=O)[C@@H]Ccccccc6NC)C%10=O
|
[C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][O][=O]
|
[C@@H]17Cc2ccccc2N(C)C1=O.C[C@H]5[C@H]6CO.C=8C1CCC1.C3(=O)C=8.C47=O.N35.N46
|
C[C@H]1C[C@@H](C(=O)N2C[C@H]3CCC[C@@]3(C(=O)NCCc3ccncn3)C2)CC(=O)N1
|
C[C@H]C[C@@H]C=O)NC[C@H]CCC[C@@]5C=O)NCCcccncn6))))))))))C8)))))))))CC=O)N6
|
[C][C@H1][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@@][Ring1][Branch1][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][C][=N][C][=N][Ring1][=Branch1][C][Ring2][Ring1][Ring1][C][C][=Branch1][C][=O][N][Ring2][Ring1][N]
|
N14C[C@H]2CCC[C@@]28C1.C[C@H]1C[C@@H]7CC(=O)N1.c19ccncn1.C47=O.C58=O.C6C9.N56
|
CC[C@]1(CCc2ccccc2)CCCN1C(=O)[C@@H](C)c1ccc2c(c1)OCCO2
|
CC[C@]CCcccccc6))))))))CCCN5C=O)[C@@H]C)cccccc6)OCCO6
|
[C][C][C@][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1]
|
c17ccc2c(c1)OCCO2.[C@@]145CCCN13.c16ccccc1.C3(=O)[C@H]7C.C5C6.CC4
|
CCCC[C@@H](CNC(=O)[C@@H]1CCC(=O)O1)NC(=O)CCN1C(=O)CCC1=O
|
CCCC[C@@H]CNC=O)[C@@H]CCC=O)O5))))))))NC=O)CCNC=O)CCC5=O
|
[C][C][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CCCC[C@H]4C5.N17C(=O)CCC1=O.[C@@H]16CCC(=O)O1.C3(=O)CC7.C26=O.N25.N34
|
CC(C)C[C@H](CNC(=O)[C@H]1CCC(=O)O1)NC(=O)CCN1C(=O)CCC1=O
|
CCC)C[C@H]CNC=O)[C@H]CCC=O)O5))))))))NC=O)CCNC=O)CCC5=O
|
[C][C][Branch1][C][C][C][C@H1][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O]
|
CC(C)C[C@@H]4C5.N17C(=O)CCC1=O.[C@H]16CCC(=O)O1.C3(=O)CC7.C26=O.N25.N34
|
COCC[C@H](CNC(=O)CCN1C(=O)CCC1=O)NC(=O)[C@H]1CCC(=O)O1
|
COCC[C@H]CNC=O)CCNC=O)CCC5=O)))))))))))NC=O)[C@H]CCC=O)O5
|
[C][O][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][N][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][O][Ring1][=Branch1]
|
N18C(=O)CCC1=O.C4C[C@@H]5C6.[C@H]17CCC(=O)O1.C2(=O)CC8.C37=O.CO4.N26.N35
|
CN(C)[C@H]1C[C@H](C(=O)N2CCC[C@@]3(C[C@H](NC(=O)CC4CCOCC4)CO3)C2)C1
|
CNC)[C@H]C[C@H]C=O)NCCC[C@@]C[C@H]NC=O)CCCCOCC6)))))))))CO5))))C6)))))))C4
|
[C][N][Branch1][C][C][C@H1][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@@][Branch2][Ring1][#Branch1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][#C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch2]
|
N15CCC[C@@]2(C[C@H]8CO2)C1.C1%10CCOCC1.[C@H]17C[C@H]9C1.C6(=O)C%10.CN7C.C59=O.N68
|
CC1(C(=O)N2CCC[C@]3(C[C@@H](NC(=O)CC4CCOCC4)CO3)C2)CC(F)(F)C1
|
CCC=O)NCCC[C@]C[C@@H]NC=O)CCCCOCC6)))))))))CO5))))C6)))))))CCF)F)C4
|
[C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@][Branch2][Ring1][#Branch1][C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][=Branch1][C][O][Ring1][#C][C][Ring2][Ring1][Ring2][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][N]
|
N15CCC[C@]2(C[C@@H]7CO2)C1.CC18CC(F)(F)C1.C19CCOCC1.C6(=O)C9.C58=O.N67
|
O=C(CC1CCOCC1)N[C@@H]1CO[C@]2(CCCN(C(=O)C3(F)CCC3)C2)C1
|
O=CCCCCOCC6)))))))N[C@@H]CO[C@]CCCNC=O)CF)CCC4)))))C6)))))C5
|
[O][=C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][N][C@@H1][C][O][C@][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][F][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P]
|
[C@@H]16CO[C@]2(CCCN5C2)C1.C18CCOCC1.C17(F)CCC1.O=C4C8.C57=O.N46
|
C=CC1(CC(=O)N[C@H]2CO[C@]3(CCCN(C(=O)C4(O)CCC4)C3)C2)CCOCC1
|
C=CCCC=O)N[C@H]CO[C@]CCCNC=O)CO)CCC4)))))C6)))))C5))))))))CCOCC6
|
[C][=C][C][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C@H1][C][O][C@][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][C][C][O][C][C][Ring2][Ring1][O]
|
[C@H]17CO[C@]2(CCCN6C2)C1.C=CC19CCOCC1.C18(O)CCC1.C9C5=O.C68=O.N57
|
O=C(CC1(O)CCOCC1)N[C@@H]1CO[C@@]2(CCCN(C(=O)C3(CO)CCC3)C2)C1
|
O=CCCO)CCOCC6)))))))N[C@@H]CO[C@@]CCCNC=O)CCO))CCC4)))))C6)))))C5
|
[O][=C][Branch1][=N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][N][C@@H1][C][O][C@@][Branch2][Ring1][Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1][C][Ring1][=C][C][Ring2][Ring1][C]
|
[C@@H]16CO[C@@]2(CCCN5C2)C1.C18(O)CCOCC1.C179CCC1.O=C4C8.C57=O.N46.C9O
|
O=C(CC1CCOCC1)N[C@H]1CO[C@@]2(CCCN(C(=O)C3CCC3)C2)C1
|
O=CCCCCOCC6)))))))N[C@H]CO[C@@]CCCNC=O)CCCC4)))))C6)))))C5
|
[O][=C][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][N][C@H1][C][O][C@@][Branch2][Ring1][Ring2][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][Ring1][N][C][Ring1][S]
|
[C@H]16CO[C@@]2(CCCN5C2)C1.C18CCOCC1.O=C4C8.C17CCC1.C57=O.N46
|
O=C(N[C@H]1CO[C@]2(CCCN(C(=O)[C@H]3C[C@@H](O)C3)C2)C1)C(F)(F)C1CCOCC1
|
O=CN[C@H]CO[C@]CCCNC=O)[C@H]C[C@@H]O)C4)))))C6)))))C5))))))CF)F)CCCOCC6
|
[O][=C][Branch2][Ring2][C][N][C@H1][C][O][C@][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][=N][C][Ring1][P][C][Branch1][C][F][Branch1][C][F][C][C][C][O][C][C][Ring1][=Branch1]
|
[C@H]16CO[C@]2(CCCN5C2)C1.O=C4C8(F)F.C18CCOCC1.[C@H]17C[C@@H](O)C1.C57=O.N46
|
Cc1cc(=NCCCc2cnccn2)[nH]cc1S(=O)(=O)NC(C)(C)[C@H]1CCCO1
|
Cccc=NCCCccnccn6))))))))))[nH]cc6S=O)=O)NCC)C)[C@H]CCCO5
|
[C][C][=C][C][=Branch1][=N][=N][C][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][NH1][C][=C][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C@H1][C][C][C][O][Ring1][Branch1]
|
Cc1cc(=NCCC6)[nH]cc1S4(=O)=O.c16cnccn1.[C@H]15CCCO1.C35(C)C.N34
|
Cc1ccc2nc(SCCC(=O)NCc3nnc(SCC(=O)O)o3)cc(C)c2c1
|
CccccncSCCC=O)NCcnncSCC=O)O))))o5)))))))))))ccC)c6c%10
|
[C][C][=C][C][=C][N][=C][Branch2][Ring1][#Branch2][S][C][C][C][=Branch1][C][=O][N][C][C][=N][N][=C][Branch1][Branch2][S][C][C][=Branch1][C][=O][O][O][Ring1][#Branch2][C][=C][Branch1][C][C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]
|
Cc1ccc2nc9cc(C)c2c1.c18nnc%10o1.C6CC4=O.C7C(=O)O.S69.N45.C58.S7%10
|
Cc1cc(C(=O)NCCCN(C(=O)C=CC(=O)NC2CC2)C2CCCC2)oc1C
|
CcccC=O)NCCCNC=O)C=CC=O)NCCC3))))))))CCCCC5)))))))))))oc5C
|
[C][C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][C][C][C][Ring1][Branch1][O][C][=Ring2][Ring1][O][C]
|
Cc1cc%10oc1C.C18CCCC1.C6CC7.C4(=O)C=%11.C=%11C5=O.C3%10=O.N478.C19CC1.N36.N59
|
CC1(OCC(=O)N2CC3CC2(CO)C3)CN(C(=O)[C@@H]2CCCC(=O)C2)C1
|
CCOCC=O)NCCCC5CO))C4)))))))))CNC=O)[C@@H]CCCC=O)C6)))))))C4
|
[C][C][Branch2][Ring1][Branch1][O][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][Ring1][C][O][C][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring2][Ring1][=Branch2]
|
N14CC2CC19C2.[C@@H]18CCCC(=O)C1.CC16CN5C1.C7C4=O.C58=O.O67.C9O
|
Cn1cnn(CC(=O)NCCOC2CN(c3nc4cc(Cl)cc(Cl)c4o3)C2)c1=O
|
CncnnCC=O)NCCOCCNcncccCl)ccCl)c6o9)))))))))C4))))))))))c5=O
|
[C][N][C][=N][N][Branch2][Ring2][=Branch1][C][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][O][Ring1][O][C][Ring1][#C][C][Ring2][Ring1][O][=O]
|
c19nc2cc(Cl)cc(Cl)c2o1.Cn1cnn%10c1=O.C17CN9C1.C%10C5=O.C8C6.N58.O67
|
O=C(/C=C/c1nc[nH]n1)N1CC2(C1)CN(C(=O)C13CCC(O)(CC1)CC3)C2
|
O=C/C=C/cnc[nH]n5)))))))NCCC4)CNC=O)CCCCO)CC6))CC6)))))))C4
|
[O][=C][Branch1][#Branch2][/C][=C][/C][N][=C][NH1][N][=Ring1][Branch1][N][C][C][Branch1][Ring2][C][Ring1][Ring2][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][C][O][Branch1][Branch1][C][C][Ring1][#Branch1][C][C][Ring1][=Branch2][C][Ring1][S]
|
C126CCC(O)(CC1)CC2.N14CC2(C1)CN5C2.C=7c1nc[nH]n1.O=C4C=7.C56=O
|
CC1(C)COCCN(C(=O)[C@H]2CN(C(=O)C3CC4(CC4)C3)C[C@@H]2C2CC2)C1
|
CCC)COCCNC=O)[C@H]CNC=O)CCCCC3))C4)))))C[C@@H]5CCC3)))))))))C7
|
[C][C][Branch1][C][C][C][O][C][C][N][Branch2][Ring2][Ring1][C][=Branch1][C][=O][C@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][=Branch1][C][C@@H1][Ring1][=N][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch2]
|
CC1(C)COCCN5C1.[C@H]17CN6C[C@@H]1C1CC1.C18CC2(CC2)C1.C57=O.C68=O
|
Cn1cncc(C(=O)NC[C@@]2(F)CC[C@@H](NC(=O)c3snnc3C3CC3)C2)c1=O
|
CncnccC=O)NC[C@@]F)CC[C@@H]NC=O)csnnc5CCC3))))))))))C5))))))))c6=O
|
[C][N][C][=N][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C@@][Branch1][C][F][C][C][C@@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][S][N][=N][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][Ring1][P][C][Ring2][Ring1][O][=O]
|
Cn1cncc9c1=O.[C@]1%10(F)CC[C@@H]7C1.c18snnc1%11.C49=O.C58=O.C1%11CC1.N46.C6%10.N57
|
N#Cc1ccnc(N2CCCN(C(=O)c3cccc([C@@H]4CCCOC4)c3)CC2)c1
|
N#CcccncNCCCNC=O)ccccc[C@@H]CCCOC6))))))c6)))))))CC7)))))))c6
|
[N][#C][C][=C][C][=N][C][Branch2][Ring2][Ring2][N][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch2][C@@H1][C][C][C][O][C][Ring1][=Branch1][=C][Ring1][N][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O]
|
N#Cc1ccnc6c1.N16CCCN5CC1.c17cccc8c1.[C@@H]18CCCOC1.C57=O
|
COC(C)(C)CCn1nc([C@H]2CC=CCC2)nc1-c1cn(C[C@H]2CCOC2)nn1
|
COCC)C)CCnnc[C@H]CC=CCC6))))))nc5-ccnC[C@H]CCOC5))))))nn5
|
[C][O][C][Branch1][C][C][Branch1][C][C][C][C][N][N][=C][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n14nc8nc17.C3(C)(C)CC4.[C@H]18CC=CCC1.c17cn5nn1.[C@H]16CCOC1.CO3.C56
|
CCC(CC)n1nc([C@H]2CC=CCC2)nc1-c1cn(C[C@@H]2CCOC2)nn1
|
CCCCC))nnc[C@H]CC=CCC6))))))nc5-ccnC[C@@H]CCOC5))))))nn5
|
[C][C][C][Branch1][Ring1][C][C][N][N][=C][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n13nc7nc16.[C@H]17CC=CCC1.c16cn4nn1.CCC3CC.[C@@H]15CCOC1.C45
|
CC(C)CCn1nc([C@@H]2CC=CCC2)nc1-c1cn(C[C@@H]2CCOC2)nn1
|
CCC)CCnnc[C@@H]CC=CCC6))))))nc5-ccnC[C@@H]CCOC5))))))nn5
|
[C][C][Branch1][C][C][C][C][N][N][=C][Branch1][=Branch2][C@@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n13nc7nc16.[C@@H]17CC=CCC1.c16cn4nn1.CC(C)CC3.[C@@H]15CCOC1.C45
|
COCCCn1nc([C@H]2CC=CCC2)nc1-c1cn(C[C@H]2CCOC2)nn1
|
COCCCnnc[C@H]CC=CCC6))))))nc5-ccnC[C@H]CCOC5))))))nn5
|
[C][O][C][C][C][N][N][=C][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n14nc8nc17.[C@H]18CC=CCC1.c17cn5nn1.[C@H]16CCOC1.C3CC4.CO3.C56
|
COCCn1nc([C@@H]2CC=CCC2)nc1-c1cn(C[C@H]2CCOC2)nn1
|
COCCnnc[C@@H]CC=CCC6))))))nc5-ccnC[C@H]CCOC5))))))nn5
|
[C][O][C][C][N][N][=C][Branch1][=Branch2][C@@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n14nc8nc17.[C@@H]18CC=CCC1.c17cn5nn1.[C@H]16CCOC1.C3C4.CO3.C56
|
CC(C)(C)Cn1nc([C@H]2CC=CCC2)nc1-c1cn(C[C@H]2CCOC2)nn1
|
CCC)C)Cnnc[C@H]CC=CCC6))))))nc5-ccnC[C@H]CCOC5))))))nn5
|
[C][C][Branch1][C][C][Branch1][C][C][C][N][N][=C][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][N][Branch1][=Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O]
|
n13nc7nc16.[C@H]17CC=CCC1.c16cn4nn1.CC(C)(C)C3.[C@H]15CCOC1.C45
|
Cc1cnccc1-c1cn([C@H]2COC[C@H]2NC(=O)CN2CCC(=O)CC2)nn1
|
Cccnccc6-ccn[C@H]COC[C@H]5NC=O)CNCCC=O)CC6))))))))))))))nn5
|
[C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch2][Ring1][=Branch2][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][N][=N][Ring2][Ring1][Branch1]
|
Cc1cnccc17.N14CCC(=O)CC1.c17cn6nn1.[C@H]16COC[C@H]15.C3(=O)C4.N35
|
C[C@H](c1ccccc1)c1cn(C2CCC(NC(=O)[C@@]3(C)CCCN3C)CC2)nn1
|
C[C@H]cccccc6))))))ccnCCCCNC=O)[C@@]C)CCCN5C))))))))CC6))))))nn5
|
[C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][N][Branch2][Ring1][O][C][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][C][C][Ring1][S][N][=N][Ring2][Ring1][Branch1]
|
C19CCC5CC1.[C@]16(C)CCCN1C.c18ccccc1.c17cn9nn1.C[C@@H]78.C46=O.N45
|
O=C(c1ccc2c(c1)CCC2)N1C[C@@H]2[C@H](C1)N2C(=O)c1cc(Br)c2cn[nH]c2c1
|
O=Ccccccc6)CCC5))))))))NC[C@@H][C@H]C5)N3C=O)cccBr)ccn[nH]c5c9
|
[O][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][N][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][Br][=C][C][=N][NH1][C][Ring1][Branch1][=C][Ring1][#Branch2]
|
c16cc(Br)c2cn[nH]c2c1.c15ccc2c(c1)CCC2.N13C[C@@H]2[C@H](C1)N24.O=C35.C46=O
|
CCc1cnc(C(=O)NCCOCCNC(=O)Cc2cc[nH]c(=N)c2)cn1
|
CCccncC=O)NCCOCCNC=O)Cccc[nH]c=N)c6))))))))))))))))cn6
|
[C][C][C][=C][N][=C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][NH1][C][=Branch1][C][=N][C][=Ring1][#Branch1][C][=N][Ring2][Ring1][=Branch2]
|
c1%10cnc9cn1.c1%11cc[nH]c(=N)c1.C4(=O)C%11.C39=O.C7C5.C6C8.CC%10.N37.O56.N48
|
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