SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
COCCC[C@H](NC(=O)[C@@H](C)NC(C)=O)C(=O)Nc1ccc(CCO)cc1
|
COCCC[C@H]NC=O)[C@@H]C)NCC)=O))))))C=O)NccccCCO)))cc6
|
[C][O][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring2][C][C][O][C][=C][Ring1][=Branch2]
|
C5CC[C@H]6C4=O.c18ccc9cc1.C2(=O)[C@H]7C.C3(C)=O.C9CO.CO5.N26.N37.N48
|
CCO[C@@H](C)C(=O)NC1(CCC(=O)NC[C@](C)(O)C2(C)CC2)CCC1
|
CCO[C@@H]C)C=O)NCCCC=O)NC[C@]C)O)CC)CC3)))))))))CCC4
|
[C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C][C][Ring1][Ring2][C][C][C][Ring1][P]
|
[C@H]6(C)C3=O.C179CCC1.C9CC4=O.C8[C@]%10(C)O.C1%10(C)CC1.CC5.O56.N37.N48
|
CCCCN=C(NCCNC(=O)OC)N1CCC(CF)CC1
|
CCCCN=CNCCNC=O)OC)))))))NCCCCF))CC6
|
[C][C][C][C][N][=C][Branch1][O][N][C][C][N][C][=Branch1][C][=O][O][C][N][C][C][C][Branch1][Ring1][C][F][C][C][Ring1][Branch2]
|
CCCCN=C(N4)N1CCC6CC1.C4C5.C23=O.N35.O2C.C6F
|
CC1(C)CC[C@H](C(=O)NC[C@H](O)CNC(=O)c2ccc3cnsc3c2)CO1
|
CCC)CC[C@H]C=O)NC[C@H]O)CNC=O)cccccnsc5c9))))))))))))))))CO6
|
[C][C][Branch1][C][C][C][C][C@H1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=N][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][O][Ring2][Ring1][#Branch2]
|
c19ccc2cnsc2c1.CC1(C)CC[C@H]8CO1.C6[C@H](O)C7.C48=O.C59=O.N46.N57
|
CC[C@H](CC(=O)NCC1CN(C(=O)CCCCCC#N)C1)C(F)F
|
CC[C@H]CC=O)NCCCNC=O)CCCCCC#N))))))))C4))))))))CF)F
|
[C][C][C@H1][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][#N][C][Ring1][=N][C][Branch1][C][F][F]
|
CC[C@H](CC2=O)C(F)F.C3(=O)CCCCCC#N.C15CN3C1.N24.C45
|
CCC1(C(=O)N2CCOC[C@@H](NC(=O)c3ccc4c(=O)ccoc4c3)C2)COC1
|
CCCC=O)NCCOC[C@@H]NC=O)ccccc=O)ccoc6c%10))))))))))))C7))))))))COC4
|
[C][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][O][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][O][C][Ring1][#Branch1][=C][Ring1][O][C][Ring2][Ring1][Branch1][C][O][C][Ring2][Ring1][O]
|
c19ccc2c(=O)ccoc2c1.N15CCOC[C@@H]7C1.C18%10COC1.C58=O.C69=O.CC%10.N67
|
COc1cccc(C2(N[C@@H](c3c(C)cccc3Br)c3nnnn3C)CC2)c1
|
COcccccCN[C@@H]ccC)cccc6Br)))))))cnnnn5C))))))))CC3)))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][Branch2][Ring1][=Branch2][N][C@@H1][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][Br][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][=Branch2]
|
c18c(C)cccc1Br.c14cccc9c1.c17nnnn1C.C159CC1.[C@@H]678.CO4.N56
|
CSCCCCC(=O)N1CC(C[C@@H](C)NC(=O)[C@@H]2CC23CCC3)C1
|
CSCCCCC=O)NCCC[C@@H]C)NC=O)[C@@H]CC3CCC4))))))))))C4
|
[C][S][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Branch1][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][Ring1][S]
|
C7CCCC4=O.[C@@H]18CC12CCC2.N14CC9C1.C9[C@H]6C.C58=O.CS7.N56
|
CC[C@@H]1C[C@@H](C)CN(C(=O)[C@H](CCCOC)NC(=O)CNC=O)C1
|
CC[C@@H]C[C@@H]C)CNC=O)[C@H]CCCOC)))))NC=O)CNC=O))))))))C6
|
[C][C][C@@H1][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][O][C][N][C][=Branch1][C][=O][C][N][C][=O][C][Ring2][Ring1][=Branch1]
|
[C@@H]17C[C@@H](C)CN2C1.C2(=O)[C@@H]5CCC4.C3(=O)C6.N6C=O.CC7.O4C.N35
|
CC(C)CCCC(=O)NC(C)C1CN(C(=O)c2c[nH]c3cc(F)ccc23)CCO1
|
CCC)CCCC=O)NCC)CCNC=O)cc[nH]cccF)ccc96))))))))))CCO6
|
[C][C][Branch1][C][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][O][Ring2][Ring1][C]
|
c17c[nH]c2cc(F)ccc12.CC(C)CCCC4=O.C18CN5CCO1.C68C.C57=O.N46
|
O=C(C[C@H](O)CNC(=O)C1CC(F)C1)Nc1cccc2ccccc12
|
O=CC[C@H]O)CNC=O)CCCF)C4)))))))))Ncccccccccc%106
|
[O][=C][Branch2][Ring1][Branch1][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][F][C][Ring1][Branch1][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]
|
c16cccc2ccccc12.O=C3C[C@H](O)C5.C17CC(F)C1.C47=O.N45.N36
|
Cc1cc(C)n([C@@H](C)C(=O)NC/C=C\CNC(=O)C[C@@H](C)CC(C)(C)C)n1
|
CcccC)n[C@@H]C)C=O)NC/C=C\CNC=O)C[C@@H]C)CCC)C)C))))))))))))))n5
|
[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][P][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][/C][=C][\C][N][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][=Ring2][Ring1][#Branch2]
|
C3(=O)C[C@@H](C)CC(C)(C)C.Cc1cc(C)n7n1.[C@H]7(C)C2=O.C4C=6.C=6C5.N24.N35
|
CC(C)(C)c1nc(C(=O)N2CCO[C@@H]3CN(C(=O)CC4(O)CC4)C[C@@H]32)n[nH]1
|
CCC)C)cncC=O)NCCO[C@@H]CNC=O)CCO)CC3)))))C[C@@H]59))))))))))n[nH]5
|
[C][C][Branch1][C][C][Branch1][C][C][C][=N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][O][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][Ring1][Ring2][C][C@@H1][Ring1][N][Ring1][S][=N][NH1][Ring2][Ring1][#Branch1]
|
N15CCO[C@@H]2CN6C[C@@H]21.c18nc7n[nH]1.CC8(C)C.C6(=O)C9.C19(O)CC1.C57=O
|
CCc1nnc(O)c(CNC(=O)N2CC[C@@](CO)(CCO)C2)c1CC
|
CCcnncO)cCNC=O)NCC[C@@]CO))CCO)))C5))))))))c6CC
|
[C][C][C][=N][N][=C][Branch1][C][O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][C][C@@][Branch1][Ring1][C][O][Branch1][Ring2][C][C][O][C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1][C][C]
|
c16nnc(O)c9c1%10.N14CC[C@@]78C1.C34=O.C8CO.CC6.C59.N35.C7O.C%10C
|
C[C@H](CN=c1cccc(S(=O)(=O)N2CCC(C3CC3)CC2)[nH]1)S(N)(=O)=O
|
C[C@H]CN=cccccS=O)=O)NCCCCCC3)))CC6)))))))[nH]6))))))))SN)=O)=O
|
[C][C@H1][Branch2][Ring2][Branch1][C][N][=C][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch2][NH1][Ring2][Ring1][C][S][Branch1][C][N][=Branch1][C][=O][=O]
|
C[C@H](CN=c1cccc(S4(=O)=O)[nH]1)S(N)(=O)=O.N14CCC(C2CC2)CC1
|
CCS[C@H](C(=O)NCc1nnn(C)c1C(=O)NOC[C@@H]1CCOC1)C(C)C
|
CCS[C@H]C=O)NCcnnnC)c5C=O)NOC[C@@H]CCOC5)))))))))))))))))CC)C
|
[C][C][S][C@H1][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][O][C][C@@H1][C][C][O][C][Ring1][Branch1][C][Branch1][C][C][C]
|
[C@@H]6(C2=O)C(C)C.c18nnn(C)c17.C7(=O)NO3.[C@@H]19CCOC1.CC5.S56.N24.C48.C39
|
COC(=O)C(C)(C)C(=O)N1CCCN(C(=O)[C@@H](C)c2ccco2)CC1
|
COC=O)CC)C)C=O)NCCCNC=O)[C@@H]C)cccco5)))))))CC7
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][C][Ring1][S]
|
C3(=O)C(C)(C)C4=O.N14CCCN5CC1.C5(=O)[C@H]6C.c16ccco1.CO3
|
CCN1CCN(c2ccc(C(F)(F)F)cc2NCc2cncnc2)CC1
|
CCNCCNccccCF)F)F))cc6NCccncnc6))))))))))))))CC6
|
[C][C][N][C][C][N][Branch2][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][C][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch2]
|
c15ccc7cc16.N13CCN5CC1.c18cncnc1.C7(F)(F)F.CC3.N46.C48
|
Cc1coc(C)c1CNC(=O)CC[C@H]1CCN(C(=O)C2=C[C@]3(CCOC3)C2)C1
|
CccocC)c5CNC=O)CC[C@H]CCNC=O)C=C[C@]CCOC5))))C4)))))C5
|
[C][C][=C][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][#C]
|
C5(=O)C1=C[C@]2(CCOC2)C1.Cc1coc(C)c18.[C@H]17CCN5C1.C4(=O)CC7.C68.N46
|
CCCC[C@H](C)C(=O)N1CCC[C@](O)(CCNC(=O)c2cccc(Cl)c2O)C1
|
CCCC[C@H]C)C=O)NCCC[C@]O)CCNC=O)cccccCl)c6O)))))))))))C6
|
[C][C][C][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][C][O][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C][Ring2][Ring1][Ring2]
|
CCCC[C@H](C)C3=O.N13CCC[C@@]7(O)C1.c16cccc(Cl)c1O.C7C5.C46=O.N45
|
Cc1c(Br)ccc(F)c1CNC(=O)N[C@H](C1CCCC1)C1CCC1
|
CccBr)cccF)c6CNC=O)N[C@H]CCCCC5)))))CCCC4
|
[C][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][C][C][C][Ring1][Ring2]
|
Cc1c(Br)ccc(F)c18.C16CCCC1.C17CCC1.C23=O.[C@@H]567.C48.N24.N35
|
Cc1ccc(C(=O)N2CCC[C@@H](CNC(=O)COCc3ccccc3Cl)C2)nn1
|
CccccC=O)NCCC[C@@H]CNC=O)COCcccccc6Cl)))))))))))))C6)))))))nn6
|
[C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][N]
|
Cc1ccc9nn1.N14CCC[C@@H]%10C1.c1%11ccccc1Cl.C5(=O)C6.C49=O.C8%10.N58.O67.C7%11
|
C[C@H]1CC[C@H](C(=O)OCC(=O)NCCCCCN=[N+]=[N-])N(C(=O)OC(C)(C)C)C1
|
C[C@H]CC[C@H]C=O)OCC=O)NCCCCCN=[N+]=[N-])))))))))))))NC=O)OCC)C)C))))C6
|
[C][C@H1][C][C][C@H1][Branch2][Ring1][Ring2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][=N+1][=N-1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][N]
|
C[C@H]1CC[C@H]9N5C1.C8CCCCN=[N+]=[N-].C6C4=O.C7(C)(C)C.C29=O.C35=O.O26.N48.O37
|
CCc1ccccc1NC(=O)[C@@H](NC(=O)CCOC1CC1)C1(C)CC1
|
CCcccccc6NC=O)[C@@H]NC=O)CCOCCC3))))))))CC)CC3
|
[C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][O][C][C][C][Ring1][Ring1][C][Branch1][C][C][C][C][Ring1][Ring2]
|
c19ccccc17.C2(=O)[C@@H]68.C3(=O)CC4.C18(C)CC1.C15CC1.CC9.N27.N36.O45
|
CN1CCC(OCC(=O)N2[C@@H]3CC[C@@H](C3)[C@H]2CNC(=O)c2coc(O)n2)CC1
|
CNCCCOCC=O)N[C@@H]CC[C@@H]C5)[C@H]6CNC=O)ccocO)n5)))))))))))))))))CC6
|
[C][N][C][C][C][Branch2][Ring2][Ring2][O][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][O][=N][Ring1][=Branch1][C][C][Ring2][Ring1][O]
|
N14[C@@H]2CC[C@@H](C2)[C@H]1%10.CN1CCC7CC1.c19coc(O)n1.C6C4=O.C59=O.O67.C8%10.N58
|
C[C@@H](CNC(=O)C(C)(C)c1nncn1C)N(C)C(=O)Cc1cccnc1
|
C[C@@H]CNC=O)CC)C)cnncn5C))))))))))NC)C=O)Cccccnc6
|
[C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
C2(=O)C6(C)C.c16nncn1C.c17cccnc1.C[C@H]4C5.C3(=O)C7.N34C.N25
|
Cc1ccc(Br)cc1CC(=O)NCCN(C(=O)c1ncccc1N)C(C)(C)C
|
CccccBr)cc6CC=O)NCCNC=O)cncccc6N))))))))CC)C)C
|
[C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][C][C][Branch1][C][C][C]
|
Cc1ccc(Br)cc18.c17ncccc1N.C8C2=O.C6(C)(C)C.C4C5.N356.C37=O.N24
|
Cc1noc(C(=O)NC[C@H]2CN(C(=O)[C@@H]3C[C@H]3c3ccc(F)nc3)CCO2)c1C
|
CcnocC=O)NC[C@H]CNC=O)[C@@H]C[C@H]3ccccF)nc6))))))))))CCO6)))))))))c5C
|
[C][C][=N][O][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][C][C][O][Ring2][Ring1][C][=C][Ring2][Ring1][O][C]
|
Cc1noc7c1C.[C@H]19CN5CCO1.c1%10ccc(F)nc1.[C@@H]18C[C@H]1%10.C47=O.C58=O.N46.C69
|
CCc1ccc(CC(=O)N(C2CC2)[C@H](C)c2ccccc2Cl)cc1F
|
CCccccCC=O)NCCC3)))[C@H]C)cccccc6Cl)))))))))))cc6F
|
[C][C][C][=C][C][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][=Branch1][F]
|
c16ccc7cc1F.c18ccccc1Cl.C7C3=O.N345.C15CC1.[C@H]48C.CC6
|
COC[C@@H](C(=O)NCC1(CNC(=O)C23[C@@H]4CC(C[C@@H]42)C3(F)F)CC1)N(C)C
|
COC[C@@H]C=O)NCCCNC=O)C[C@@H]CCC[C@@H]56))C5F)F)))))))))CC3))))))NC)C
|
[C][O][C][C@@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][#Branch1][C][C@@H1][Ring1][Branch1][Ring1][=Branch1][C][Ring1][#Branch1][Branch1][C][F][F][C][C][Ring1][S][N][Branch1][C][C][C]
|
C12%11[C@@H]3CC(C[C@@H]31)C2(F)F.C7[C@H]8C5=O.C1%12%13CC1.C6%11=O.N8(C)C.CO7.N59.C9%12.C%10%13.N6%10
|
CCCCC(=O)N1[C@@H]2CC[C@H]1[C@H](CNC(=O)Cc1cc(Cl)ccc1Br)C2
|
CCCCC=O)N[C@@H]CC[C@H]5[C@H]CNC=O)CcccCl)ccc6Br)))))))))))C6
|
[C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Br][C][Ring2][Ring1][Ring1]
|
N13[C@@H]2CC[C@H]1[C@H]6C2.c17cc(Cl)ccc1Br.CCCCC3=O.C4(=O)C7.C56.N45
|
COC(CCCC(=O)N[C@@H]1CCCC12CN(C(=O)[C@H]1OCCC1(C)C)C2)OC
|
COCCCCC=O)N[C@@H]CCCC5CNC=O)[C@H]OCCC5C)C)))))))C4)))))))))))))OC
|
[C][O][C][Branch2][Ring2][=Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][O][C][C][C][Ring1][Branch1][Branch1][C][C][C][C][Ring1][=N][O][C]
|
[C@@H]17CCCC12CN4C2.C56CCCC3=O.[C@H]18OCCC1(C)C.C48=O.CO5.N37.O6C
|
CCSc1nnc(CNC(=O)[C@@H]2CC[C@H](n3cc(CC(C)(C)C)nn3)C2)n1C
|
CCScnncCNC=O)[C@@H]CC[C@H]nccCCC)C)C)))nn5)))))C5))))))))n5C
|
[C][C][S][C][=N][N][=C][Branch2][Ring2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch2][Ring1][Ring1][N][C][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][N][=N][Ring1][#Branch2][C][Ring1][#C][N][Ring2][Ring1][Branch2][C]
|
c1%11nnc8n1C.[C@@H]17CC[C@H]%10C1.n1%10cc9nn1.C9C(C)(C)C.C47=O.CC6.S6%11.C58.N45
|
N#Cc1cnc(Sc2ccc3[nH]ncc3c2)c(Cl)c1
|
N#CccncScccc[nH]ncc5c9))))))))))cCl)c6
|
[N][#C][C][=C][N][=C][Branch1][#C][S][C][=C][C][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Branch1][C][Cl][=C][Ring1][P]
|
N#Cc1cnc4c(Cl)c1.c15ccc2[nH]ncc2c1.S45
|
COCC[C@H](N)C(=O)N[C@@H]1CC[C@H]2C[C@@H]1CO2
|
COCC[C@H]N)C=O)N[C@@H]CC[C@H]C[C@@H]6CO5
|
[C][O][C][C][C@H1][Branch1][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][C][C@@H1][Ring1][=Branch1][C][O][Ring1][Branch1]
|
[C@@H]15CC[C@H]2C[C@@H]1CO2.C4C[C@H](N)C3=O.CO4.N35
|
CCCOCC(=O)N1CCC[C@H](CCNC(=O)C[C@@H]2CCCNC2=O)C1
|
CCCOCC=O)NCCC[C@H]CCNC=O)C[C@@H]CCCNC6=O))))))))))))C6
|
[C][C][C][O][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][N][C][Ring1][=Branch1][=O][C][Ring2][Ring1][Ring1]
|
N13CCC[C@H]8C1.[C@@H]19CCCNC1=O.C6C3=O.C4(=O)C9.CCC5.C8C7.O56.N47
|
COC1(CC(=O)NCC2(O)CCC2)CN(C(=O)c2coc(SC)c2)C1
|
COCCC=O)NCCO)CCC4))))))))CNC=O)ccocSC))c5))))))C4
|
[C][O][C][Branch1][P][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][O][C][Branch1][Ring1][S][C][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1]
|
C158CN4C1.c17coc%10c1.C19(O)CCC1.C8C3=O.C47=O.CO5.N36.C69.S%10C
|
CC[C@@H](O)[C@@H](C)C(=O)N1CCOC2(C1)CN(C(=O)C(C)(C)c1cncs1)C2
|
CC[C@@H]O)[C@@H]C)C=O)NCCOCC6)CNC=O)CC)C)ccncs5)))))))C4
|
[C][C][C@@H1][Branch1][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][N][=C][S][Ring1][Branch1][C][Ring1][#C]
|
N13CCOC2(C1)CN4C2.CC[C@@H](O)[C@@H](C)C3=O.C4(=O)C5(C)C.c15cncs1
|
O=C(NOc1ccc(OC(F)(F)F)cc1)[C@H]1CCN2CCC[C@@H]2C1
|
O=CNOccccOCF)F)F)))cc6))))))))[C@H]CCNCCC[C@@H]5C9
|
[O][=C][Branch2][Ring1][=Branch1][N][O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C@H1][C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch2]
|
[C@H]15CCN2CCC[C@@H]2C1.c13ccc4cc1.O=C5NO3.O4C(F)(F)F
|
Cc1cc(C(=O)NCC2CCC3(CC2)CC(NC(=O)C2(C)CC2)C3)sn1
|
CcccC=O)NCCCCCCC6))CCNC=O)CC)CC3)))))C4))))))))))sn5
|
[C][C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][C][Ring1][=N][S][N][=Ring2][Ring1][=Branch2]
|
C1%10CCC2(CC1)CC7C2.Cc1cc8sn1.C19(C)CC1.C48=O.C59=O.N46.C6%10.N57
|
C=CCC(=O)NCc1cc(O[C@H]2CCN(C(=O)CCCC(=C)C)C2)ccn1
|
C=CCC=O)NCcccO[C@H]CCNC=O)CCCC=C)C))))))C5))))))ccn6
|
[C][=C][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch2][Ring1][#Branch1][O][C@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=C][C][C][Ring1][=N][=C][C][=N][Ring2][Ring1][Ring2]
|
C4(=O)CCCC(=C)C.c18cc6ccn1.[C@H]15CCN4C1.C=CCC3=O.N37.C78.O56
|
CC(C)[C@@H](C)CC(=O)N1CCC2(CC1)CN(C(=O)[C@@]1(CO)CCCO1)CCO2
|
CCC)[C@@H]C)CC=O)NCCCCC6))CNC=O)[C@@]CO))CCCO5))))))CCO6
|
[C][C][Branch1][C][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C@@][Branch1][Ring1][C][O][C][C][C][O][Ring1][#Branch1][C][C][O][Ring1][P]
|
N13CCC2(CC1)CN4CCO2.CC(C)[C@@H](C)CC3=O.[C@]156CCCO1.C45=O.C6O
|
COC(=O)[C@@H](NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)c1ncc[nH]1
|
COC=O)[C@@H]NC[C@@H]C[C@H]3NC=O)OCC)C)C))))))))))cncc[nH]5
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][=Branch1][N][C][C@@H1][C][C@H1][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][NH1][Ring1][Branch1]
|
C2(=O)[C@@H]69.c19ncc[nH]1.[C@@H]1%10C[C@H]18.C5(C)(C)C.C34=O.CO2.N67.C7%10.N48.O35
|
C[C@H]1CCC[C@@H](NC(=O)CCOCCNC(=O)C2(C)SCCCS2)CC1
|
C[C@H]CCC[C@@H]NC=O)CCOCCNC=O)CC)SCCCS6)))))))))))))))CC7
|
[C][C@H1][C][C][C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][C][O][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][C][C][S][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2]
|
C[C@H]1CCC[C@@H]8CC1.C19(C)SCCCS1.C3(=O)CC5.C6C7.C49=O.N38.O56.N47
|
CC(C)[C@@H]1OCC[C@@H]1C(=O)NCCN(C)C(=O)c1cc(Cl)c(Br)s1
|
CCC)[C@@H]OCC[C@@H]5C=O)NCCNC)C=O)cccCl)cBr)s5
|
[C][C][Branch1][C][C][C@@H1][O][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Br][S][Ring1][#Branch1]
|
c16cc(Cl)c(Br)s1.[C@@H]18OCC[C@@H]17.CC8C.C27=O.C4C5.N35C.C36=O.N24
|
CCC[C@@H](O)C(=O)NC[C@H]1CN(C(=O)C(C)(C)CCC)CC(C)(C)O1
|
CCC[C@@H]O)C=O)NC[C@H]CNC=O)CC)C)CCC)))))CCC)C)O6
|
[C][C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][S]
|
[C@H]15CN3CC(C)(C)O1.C3(=O)C(C)(C)CCC.CCC[C@@H](O)C2=O.N24.C45
|
O=C([C@H]1C[C@H]2C=C[C@@H]1CC2)N1CC[C@@H](CNC(=O)C23CCC(CC2)CC3)C1
|
O=C[C@H]C[C@H]C=C[C@@H]6CC6))))))))NCC[C@@H]CNC=O)CCCCCC6))CC6)))))))))C5
|
[O][=C][Branch1][=N][C@H1][C][C@H1][C][=C][C@@H1][Ring1][=Branch1][C][C][Ring1][=Branch1][N][C][C][C@@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][C][Ring1][P]
|
[C@H]17C[C@H]2C=C[C@@H]1CC2.C128CCC(CC1)CC2.N14CC[C@@H]9C1.O=C47.C58=O.C69.N56
|
C[C@@H]1C[C@@H](NC(=O)c2ccc(N(C)C)cc2)CN(C(=O)CSc2cn[nH]c2)C1
|
C[C@@H]C[C@@H]NC=O)ccccNC)C))cc6))))))))CNC=O)CSccn[nH]c5))))))))C6
|
[C][C@@H1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][N][Branch1][=C][C][=Branch1][C][=O][C][S][C][C][=N][NH1][C][=Ring1][Branch1][C][Ring2][Ring1][O]
|
C[C@@H]1C[C@@H]7CN4C1.c18ccc6cc1.c19cn[nH]c1.C4(=O)C5.C38=O.N6(C)C.N37.S59
|
Cc1ccc(Oc2ccc(NC(=O)c3ccnc4c(Cl)c(C)ccc34)cc2)nn1
|
CccccOccccNC=O)cccnccCl)cC)ccc%106))))))))))))cc6)))))))nn6
|
[C][C][=C][C][=C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1][N][=N][Ring2][Ring1][N]
|
c19ccnc2c(Cl)c(C)ccc12.Cc1ccc6nn1.c17ccc8cc1.C59=O.O67.N58
|
CC[C@H](C(=O)NCC1(NC(=O)C[C@H](C)SC)CCC1)c1cc(F)c(F)c(F)c1
|
CC[C@H]C=O)NCCNC=O)C[C@H]C)SC))))))CCC4)))))))cccF)cF)cF)c6
|
[C][C][C@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][S][C][C][C][C][Ring1][N][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2]
|
c18cc(F)c(F)c(F)c1.CC[C@@H]8C2=O.C3(=O)C[C@@H]6C.C157CCC1.N24.C47.N35.S6C
|
C[C@@H](NC(=O)CC(C)(C)O)C1CN(C(=O)[C@@H]2CN(S(=O)(=O)N(C)C)CCO2)C1
|
C[C@@H]NC=O)CCC)C)O)))))CCNC=O)[C@@H]CNS=O)=O)NC)C)))CCO6)))))))C4
|
[C][C@@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][O][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@@H1][C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][Ring1][N][C][Ring2][Ring1][C]
|
[C@@H]16CN(S(=O)(=O)N(C)C)CCO1.C3(=O)CC(C)(C)O.C17CN4C1.C[C@@H]57.C46=O.N35
|
CN(C)C1(C(=O)NCC(C)(C)CC2CN(C(=O)[C@H]3CCCC4(CCC4)C3)C2)CC1
|
CNC)CC=O)NCCC)C)CCCNC=O)[C@H]CCCCCCC4)))C6)))))))C4)))))))))CC3
|
[C][N][Branch1][C][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C@H1][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][Ring1][#C][C][C][Ring2][Ring1][#Branch2]
|
[C@H]1%10CCCC2(CCC2)C1.C8C(C)(C)C%11.C1%11CN6C1.C179CC1.CN7C.C59=O.C6%10=O.N58
|
C=CCCn1cc(C(=O)NC23CC(CNC(=O)[C@H](O)c4cnn(C)c4)(C2)C3)nn1
|
C=CCCnccC=O)NCCCCNC=O)[C@H]O)ccnnC)c5)))))))))C4)C4))))))nn5
|
[C][=C][C][C][N][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][Branch1][Ring2][C][Ring1][S][C][Ring1][P][N][=N][Ring2][Ring1][=Branch2]
|
n1%10cc9nn1.C128CC%11(C1)C2.c1%12cnn(C)c1.C6(=O)[C@@H]%12O.C=CCC%10.C59=O.N58.C7%11.N67
|
Cc1c(Br)cccc1C(=O)NCC1CC(NC(=O)c2cnc3ccoc3c2)C1
|
CccBr)cccc6C=O)NCCCCNC=O)ccncccoc5c9)))))))))))C4
|
[C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][O][C][Ring1][Branch1][=C][Ring1][=Branch2][C][Ring1][S]
|
c19cnc2ccoc2c1.Cc1c8cccc1Br.C1%10CC7C1.C48=O.C59=O.N46.C6%10.N57
|
CCCn1cc(Cl)c(C(=O)NCCCCN(C)CCCNC(=O)C2CSC2)n1
|
CCCnccCl)cC=O)NCCCCNC)CCCNC=O)CCSC4))))))))))))))))n5
|
[C][C][C][N][C][=C][Branch1][C][Cl][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][S][C][Ring1][Ring2][=N][Ring2][Ring1][=Branch2]
|
n1%11cc(Cl)c9n1.C5CCC6.C7CC8.C1%10CSC1.CCC%11.C39=O.N67C.C4%10=O.N35.N48
|
CO[C@H]1CC[C@@H]2[C@H](OC)CC[C@@H]1N2C(=O)N1C[C@H]2CCC[C@H]2C1
|
CO[C@H]CC[C@@H][C@H]OC))CC[C@@H]8N6C=O)NC[C@H]CCC[C@H]5C8
|
[C][O][C@H1][C][C][C@@H1][C@H1][Branch1][Ring1][O][C][C][C][C@@H1][Ring1][#Branch2][N][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2]
|
[C@H]15CC[C@@H]2[C@H]6CC[C@@H]1N23.N14C[C@H]2CCC[C@H]2C1.C34=O.CO5.O6C
|
CCC(CC)CCC(=O)NC[C@@]12CC[C@@H](C[C@H]1NC(=O)c1ncc[nH]c1=O)C2
|
CCCCC))CCC=O)NC[C@@]CC[C@@H]C[C@H]6NC=O)cncc[nH]c6=O)))))))))))C5
|
[C][C][C][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][C][C@@][C][C][C@@H1][Branch2][Ring1][Ring1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][NH1][C][Ring1][=Branch1][=O][C][Ring1][P]
|
CCC(CC)CCC3=O.[C@@]128CC[C@@H](C[C@H]16)C2.c17ncc[nH]c1=O.C47=O.N35.C58.N46
|
CCCCCn1cc(CNc2nc(Cl)cc3ccc(F)cc23)c(C)n1
|
CCCCCnccCNcncCl)cccccF)cc%106))))))))))))cC)n5
|
[C][C][C][C][C][N][C][=C][Branch2][Ring1][#Branch1][C][N][C][=N][C][Branch1][C][Cl][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][N][Ring1][#Branch1][C][Branch1][C][C][=N][Ring2][Ring1][Ring2]
|
c15nc(Cl)cc2ccc(F)cc12.n16cc7c(C)n1.CCCCC6.C47.N45
|
CC(=O)N[C@@H](C)C(=O)N1CC(C2CCN(C(=O)CCCCCN(C)C)CC2)C1
|
CC=O)N[C@@H]C)C=O)NCCCCCNC=O)CCCCCNC)C))))))))CC6))))))C4
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][C][C][C][C][C][Ring1][S][C][Ring2][Ring1][Ring2]
|
N14CC(C2CCN5CC2)C1.C5(=O)CCCCC7.[C@H]6(C)C4=O.CC3=O.N7(C)C.N36
|
CCn1ccnc1C(=O)N1CC[C@@H](NC(=O)[C@H]2CC[C@H](C)CC2)[C@@H]1C1CC1
|
CCnccnc5C=O)NCC[C@@H]NC=O)[C@H]CC[C@H]C)CC6))))))))[C@@H]5CCC3
|
[C][C][N][C][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][#Branch1][C@@H1][Ring1][#C][C][C][C][Ring1][Ring1]
|
N13CC[C@@H]5[C@@H]19.[C@H]17CC[C@H](C)CC1.n18ccnc16.C36=O.C47=O.C19CC1.CC8.N45
|
CO[C@H]1C[C@H](C(=O)N[C@H]2C[C@H](C)N(C(=O)COc3ccc(Br)cn3)C2)C1
|
CO[C@H]C[C@H]C=O)N[C@H]C[C@H]C)NC=O)COccccBr)cn6)))))))))C5)))))))C4
|
[C][O][C@H1][C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
[C@H]19C[C@H](C)N5C1.c17ccc(Br)cn1.[C@H]18C[C@H]%10C1.C5(=O)C6.C4%10=O.CO8.N49.O67
|
CCCCO[C@H](C)C(=O)N1CCN(C(=O)C2(C)CC(OC)(OC)C2)C[C@H](C)C1
|
CCCCO[C@H]C)C=O)NCCNC=O)CC)CCOC))OC))C4)))))C[C@H]C)C7
|
[C][C][C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring1][=Branch2][C][C@H1][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13CCN4C[C@H](C)C1.C19(C)CC78C1.[C@@H]6(C)C3=O.CCCC5.C49=O.O56.O7C.O8C
|
CC[C@@H](F)C(=O)N1CC2(CCC(NC(=O)C=C[S@@+](C)[O-])CC2)C1
|
CC[C@@H]F)C=O)NCCCCCNC=O)C=C[S@@+]C)[O-]))))))CC6)))))C4
|
[C][C][C@@H1][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=C][S@@+1][Branch1][C][C][O-1][C][C][Ring1][=C][C][Ring1][P]
|
N13CC2(CCC5CC2)C1.C4(=O)C=C[S@@+](C)[O-].CC[C@@H](F)C3=O.N45
|
COc1ccc(C(=O)N2C[C@@H]3C[C@@H]3[C@H]2CNC(=O)CCN2CCOC2=O)c(C)n1
|
COccccC=O)NC[C@@H]C[C@@H]3[C@H]6CNC=O)CCNCCOC5=O))))))))))))))))))cC)n6
|
[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][C@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][Branch1][C][C][=N][Ring2][Ring1][O]
|
c16ccc8c(C)n1.N14C[C@@H]2C[C@@H]2[C@H]1%10.N19CCOC1=O.C5(=O)CC9.C48=O.CO6.C7%10.N57
|
CCCN(CC1CC1)C(=O)[C@H](OC)C1CN(C(=O)C[C@H](C)COC)C1
|
CCCNCCCC3))))C=O)[C@H]OC))CCNC=O)C[C@H]C)COC))))))C4
|
[C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][Ring1][O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][O][C][C][Ring1][N]
|
C3(=O)C[C@H](C)C5.C2(=O)[C@H]49.C19CN3C1.CCC6.N267.C18CC1.C78.O4C.O5C
|
CC(C)C[C@@H]1C[C@H]1C(=O)N1CC[C@@](O)(CNC(=O)C(C)(C)S(C)(=O)=O)C1
|
CCC)C[C@@H]C[C@H]3C=O)NCC[C@@]O)CNC=O)CC)C)SC)=O)=O))))))C5
|
[C][C][Branch1][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][P]
|
C3(=O)C(C)(C)S(C)(=O)=O.N12CC[C@]7(O)C1.CC(C)C6.[C@@H]16C[C@H]15.C25=O.C47.N34
|
Cc1cnc(C(=O)N2CCC[C@H]2CNC(=O)[C@@H]2C[C@@H](c3ccccc3)O2)cc1Cl
|
CccncC=O)NCCC[C@H]5CNC=O)[C@@H]C[C@@H]cccccc6))))))O4)))))))))))))cc6Cl
|
[C][C][=C][N][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][O][Cl]
|
Cc1cnc8cc1Cl.N14CCC[C@H]19.c1%10ccccc1.[C@@H]17C[C@@H]%10O1.C48=O.C57=O.C69.N56
|
CC[C@@H](C)Oc1cc(N[C@@H]2CC23CC(NC(=O)c2cc(C)n(C)c2)C3)nc(C)n1
|
CC[C@@H]C)OcccN[C@@H]CC3CCNC=O)cccC)nC)c5)))))))C4)))))))ncC)n6
|
[C][C][C@@H1][Branch1][C][C][O][C][=C][C][Branch2][Ring1][P][N][C@@H1][C][C][Ring1][Ring1][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Ring1][#Branch1][C][Ring1][=C][=N][C][Branch1][C][C][=N][Ring2][Ring1][Branch2]
|
c16cc7nc(C)n1.[C@@H]18CC12CC9C2.c1%10cc(C)n(C)c1.CC[C@H]5C.C4%10=O.O56.N78.N49
|
Cc1cc(C(=O)N[C@](C)(CO)CNC(=O)c2n[nH]cc2C(C)C)c(F)cc1N
|
CcccC=O)N[C@]C)CO))CNC=O)cn[nH]cc5CC)C)))))))))))))cF)cc6N
|
[C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][#Branch2][N]
|
Cc1cc8c(F)cc1N.[C@@]5(C)(C6)CO.c17n[nH]cc19.C38=O.C47=O.C9(C)C.N35.N46
|
COCC1(C(=O)NCc2nncs2)CN(C(=O)[C@H]2CCCOC2)C1
|
COCCC=O)NCcnncs5))))))))CNC=O)[C@H]CCCOC6)))))))C4
|
[C][O][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][=N][N][=C][S][Ring1][Branch1][C][N][Branch1][=N][C][=Branch1][C][=O][C@H1][C][C][C][O][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
C17%10CN4C1.[C@H]18CCCOC1.c19nncs1.C37=O.C48=O.CO5.C5%10.N36.C69
|
O=C(C1CCCC1)N1C[C@H]2CC[C@@](C(=O)NCC3C[C@@H]4CCC[C@H]4C3)(C2)C1
|
O=CCCCCC5)))))NC[C@H]CC[C@@]C=O)NCCC[C@@H]CCC[C@H]5C8)))))))))))C5)C7
|
[O][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][N][C][C@H1][C][C][C@@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][Ring2]
|
N15C[C@H]2CC[C@@]9(C2)C1.C1%10C[C@@H]2CCC[C@H]2C1.C18CCCC1.O=C58.C69=O.N67.C7%10
|
CC(C)[C@@H]1CCC[C@H]1C(=O)N[C@H](C)CC(=O)Nc1cnsc1
|
CCC)[C@@H]CCC[C@H]5C=O)N[C@H]C)CC=O)Nccnsc5
|
[C][C][Branch1][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=N][S][C][=Ring1][Branch1]
|
[C@@H]17CCC[C@H]16.[C@@H]4(C)CC3=O.c15cnsc1.CC7C.C26=O.N24.N35
|
Cc1ccc2c(=O)c(C(=O)NC3CC(N4CCC4)C3)c[nH]c2c1C
|
Cccccc=O)cC=O)NCCCNCCC4))))C4))))))c[nH]c6c%10C
|
[C][C][=C][C][=C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][N][C][C][C][Ring1][Ring2][C][Ring1][Branch2][=C][NH1][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C]
|
Cc1ccc2c(=O)c8c[nH]c2c1C.C16CC7C1.N17CCC1.C58=O.N56
|
C#CC1(C(=O)NC[C@@H]2CCC[C@H](C)C2)CCN(C(=O)C=CC2CCCC2)CC1
|
C#CCC=O)NC[C@@H]CCC[C@H]C)C6)))))))))CCNC=O)C=CCCCCC5))))))))CC6
|
[C][#C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch2]
|
C#CC16CCN4CC1.[C@@H]18CCC[C@H](C)C1.C=7C1CCCC1.C4(=O)C=7.C36=O.N35.C58
|
C=CC[C@H](CC)C(=O)N1CC=C(C(C)(C)C(=O)NC2C[C@@H]3CSC[C@H]3C2)C1
|
C=CC[C@H]CC))C=O)NCC=CCC)C)C=O)NCC[C@@H]CSC[C@H]5C8)))))))))))C5
|
[C][=C][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][S][C][C@H1][Ring1][Branch1][C][Ring1][Branch2][C][Ring2][Ring1][Ring1]
|
N14CC=C(C(C)(C)C5=O)C1.C=CC[C@H](CC)C4=O.C16C[C@@H]2CSC[C@H]2C1.N56
|
CCSCc1cn(CC(F)(F)CCC(=O)N2CC[C@H](c3ccccn3)C2)nn1
|
CCSCccnCCF)F)CCC=O)NCC[C@H]cccccn6))))))C5))))))))))nn5
|
[C][C][S][C][C][=C][N][Branch2][Ring1][S][C][C][Branch1][C][F][Branch1][C][F][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring1][O][N][=N][Ring2][Ring1][Branch2]
|
C7C(F)(F)CCC4=O.c18cn7nn1.N14CC[C@H]9C1.c19ccccn1.CC5.S56.C68
|
COC(=O)c1ccc(-c2cn(C3CN(C(=O)CS(=O)(=O)N(C)C)C3)nn2)c(C)c1
|
COC=O)cccc-ccnCCNC=O)CS=O)=O)NC)C)))))C4))))nn5)))))cC)c6
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][N][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=N][N][=N][Ring2][Ring1][C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2]
|
c17ccc9c(C)c1.C5(=O)CS6(=O)=O.c19cn8nn1.C18CN5C1.C47=O.N6(C)C.CO4
|
C[C@H](NC(=O)c1cnn(C2CC2)c1)[C@@H](C)C(=O)N1CCC(OC2CC2)CC1
|
C[C@H]NC=O)ccnnCCC3)))c5)))))))[C@@H]C)C=O)NCCCOCCC3))))CC6
|
[C][C@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=Ring1][Branch2][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][#Branch1][O][C][C][C][Ring1][Ring1][C][C][Ring1][#Branch2]
|
C[C@H]7[C@@H](C)C4=O.N14CCC5CC1.c18cnn9c1.C38=O.C19CC1.C16CC1.N37.O56
|
COCc1oncc1C(=O)NCC1(O)CN(Cc2ccc(F)c(F)c2Br)C1
|
COCconcc5C=O)NCCO)CNCccccF)cF)c6Br))))))))C4
|
[C][O][C][C][O][N][=C][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][N][Branch1][P][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][Br][C][Ring1][#C]
|
c1%10ccc(F)c(F)c1Br.c18oncc17.C19(O)CN6C1.C37=O.CO4.C48.N35.C59.C6%10
|
CCc1ccc(C(=O)Nc2ccc(-c3cccs3)c(F)c2)cc1[N+](=O)[O-]
|
CCccccC=O)Ncccc-ccccs5)))))cF)c6))))))))cc6[N+]=O)[O-]
|
[C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1]
|
c17ccc6cc1[N+](=O)[O-].c15ccc8c(F)c1.c18cccs1.C46=O.CC7.N45
|
COc1cccc(C(F)(F)C(=O)NC[C@H]2C[C@@H](NC(=O)c3onc(C)c3C)C2)c1
|
COcccccCF)F)C=O)NC[C@H]C[C@@H]NC=O)concC)c5C))))))))C4))))))))c6
|
[C][O][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C][O][N][=C][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][O]
|
c16cccc%11c1.c19onc(C)c1C.C%11(F)(F)C4=O.[C@H]1%10C[C@@H]8C1.C59=O.CO6.N47.C7%10.N58
|
CC(=O)[C@H](C)C[C@@H](C)C(=O)N[C@H]1C[C@H]2CC[C@]1(C(=O)NC[C@@H](F)C(C)(C)O)C2
|
CC=O)[C@H]C)C[C@@H]C)C=O)N[C@H]C[C@H]CC[C@]6C=O)NC[C@@H]F)CC)C)O))))))C5
|
[C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@][Ring1][=Branch1][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#C]
|
CC(=O)[C@H](C)C[C@@H](C)C3=O.[C@H]16C[C@H]2CC[C@]17C2.C5[C@@H](F)C(C)(C)O.C47=O.N36.N45
|
Cc1nc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ccnn3CC(C)C)C2)n[nH]1
|
CcncC=O)NC)[C@H]CCCNC=O)cccnn5CCC)C)))))))))C6))))))))n[nH]5
|
[C][C][=N][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][C][C][C][C][Ring1][P][=N][NH1][Ring2][Ring1][#Branch2]
|
[C@H]16CCCN5C1.Cc1nc7n[nH]1.c18ccnn19.C9C(C)C.C47=O.N46C.C58=O
|
CCN(CC)CC(=O)N[C@@]12CC[C@@](CNC(=O)C=CC3CCCCCC3)(C1)OC2
|
CCNCC))CC=O)N[C@@]CC[C@@]CNC=O)C=CCCCCCCC7))))))))))))C5)OC6
|
[C][C][N][Branch1][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@][C][C][C@@][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][C][C][C][Ring1][#Branch1][Branch1][Branch1][C][Ring2][Ring1][C][O][C][Ring2][Ring1][Ring2]
|
[C@@]12%10CC[C@@]%12(C1)OC2.C=%11C1CCCCCC1.C8C4=O.C5(=O)C=%11.N678.CC6.C7C.N4%10.C9%12.N59
|
O=C(CCc1cnn[nH]1)N1CCN(C(=O)CCn2cnnn2)[C@H]2CS(=O)(=O)C[C@H]21
|
O=CCCccnn[nH]5)))))))NCCNC=O)CCncnnn5))))))))[C@H]CS=O)=O)C[C@H]59
|
[O][=C][Branch1][#Branch2][C][C][C][=C][N][=N][NH1][Ring1][Branch1][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][N][C][=N][N][=N][Ring1][Branch1][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Ring1][#Branch1][Ring2][Ring1][Ring2]
|
N13CCN4[C@H]2CS(=O)(=O)C[C@H]21.O=C3CC6.c16cnn[nH]1.C4(=O)CC5.n15cnnn1
|
Nc1c(C(=O)N2[C@@H]3CC[C@H]2CN(C(=O)c2c(Cl)cncc2Cl)C3)cnn1CCO
|
NccC=O)N[C@@H]CC[C@H]5CNC=O)ccCl)cncc6Cl))))))))C7)))))))))cnn5CCO
|
[N][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][Ring1][P][C][=N][N][Ring2][Ring1][=Branch2][C][C][O]
|
N14[C@@H]2CC[C@H]1CN5C2.c17c(Cl)cncc1Cl.Nc1c6cnn18.C46=O.C57=O.C8CO
|
CCCC[C@H](CC)CCC(=O)N(C)CCCCN(C)C(=O)C[C@H]1C[C@H]2C=C[C@H]1C2
|
CCCC[C@H]CC))CCC=O)NC)CCCCNC)C=O)C[C@H]C[C@H]C=C[C@H]6C5
|
[C][C][C][C][C@H1][Branch1][Ring1][C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C@H1][C][C@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1]
|
CCCC[C@H](CC)CCC3=O.[C@H]17C[C@H]2C=C[C@H]1C2.C5CCC6.C4(=O)C7.N35C.N46C
|
CCC=CC(=O)NCC12COC(CN=c3[nH]c(C)ncc3C(=O)OCC)(C1)C2
|
CCC=CC=O)NCCCOCCN=c[nH]cC)ncc6C=O)OCC))))))))))))C5)C5
|
[C][C][C][=C][C][=Branch1][C][=O][N][C][C][C][O][C][Branch2][Ring1][Branch1][C][N][=C][NH1][C][Branch1][C][C][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Ring2]
|
C%10N=c1[nH]c(C)ncc18.C12%11COC%10(C1)C2.C=9C5=O.CCC=9.C48=O.N57.C7%11.O46.C6C
|
CC[C@]1(C(=O)NCCCOC)CCCN1C(=O)[C@@H](F)C1CCCCC1
|
CC[C@]C=O)NCCCOC)))))))CCCN5C=O)[C@@H]F)CCCCCC6
|
[C][C][C@][Branch1][O][C][=Branch1][C][=O][N][C][C][C][O][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@]167CCCN13.C18CCCCC1.C3(=O)[C@H]8F.C5CC4.C26=O.CC7.N25.O4C
|
COCC[C@H](CO)NS(=O)(=O)c1ccc2[nH]c(=NCC[C@@H](C)N(C)C)ccc2c1
|
COCC[C@H]CO))NS=O)=O)cccc[nH]c=NCC[C@@H]C)NC)C))))))ccc6c%10
|
[C][O][C][C][C@H1][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][NH1][C][=Branch1][=N][=N][C][C][C@@H1][Branch1][C][C][N][Branch1][C][C][C][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C]
|
S6(=O)(=O)c1ccc2[nH]c(=NCC[C@H]5C)ccc2c1.C3C[C@@H]4CO.N5(C)C.CO3.N46
|
CCCC(C)(C)CNC(=O)C1([C@H](C)NC(=O)C[C@H]2CCC(=O)NC2)CC1
|
CCCCC)C)CNC=O)C[C@H]C)NC=O)C[C@H]CCC=O)NC6))))))))))CC3
|
[C][C][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][Ring1][S]
|
CCCC(C)(C)C5.[C@H]19CCC(=O)NC1.C178CC1.C4(=O)C9.C37=O.[C@@H]68C.N35.N46
|
CC[C@H](C)[C@H](O)C(=O)N1CC(NC(=O)c2ccc(Cl)o2)C1
|
CC[C@H]C)[C@H]O)C=O)NCCNC=O)ccccCl)o5)))))))C4
|
[C][C][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][O][Ring1][=Branch1][C][Ring1][=N]
|
CC[C@H](C)[C@H](O)C3=O.c16ccc(Cl)o1.N13CC5C1.C46=O.N45
|
CNC(=O)[C@H]([C@@H]1C[C@H]1C1CC1)N1C[C@@H](F)C[C@H]1CC(=O)OC
|
CNC=O)[C@H][C@@H]C[C@H]3CCC3))))))NC[C@@H]F)C[C@H]5CC=O)OC
|
[C][N][C][=Branch1][C][=O][C@H1][Branch1][O][C@@H1][C][C@H1][Ring1][Ring1][C][C][C][Ring1][Ring1][N][C][C@@H1][Branch1][C][F][C][C@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C]
|
N14C[C@@H](F)C[C@H]15.[C@@H]16C[C@H]1C1CC1.C3(=O)[C@@H]46.C5C2=O.CN3.O2C
|
O=C(CCN=C1NS(=O)(=O)c2ccccc21)NCCCCNC(=O)C1(O)CC1
|
O=CCCN=CNS=O)=O)cccccc69))))))))))))NCCCCNC=O)CO)CC3
|
[O][=C][Branch2][Ring1][#Branch1][C][C][N][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][O][C][C][Ring1][Ring2]
|
O=C3CCN=C1NS(=O)(=O)c2ccccc21.C5CCC6.C17(O)CC1.C47=O.N35.N46
|
Cc1cnoc1C(=O)N1CC(C)(C)C[C@@H]1CNC(=O)c1cc(C(F)(F)F)[nH]c1C
|
Cccnoc5C=O)NCCC)C)C[C@@H]5CNC=O)cccCF)F)F))[nH]c5C
|
[C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][C][=Ring1][=Branch2][C]
|
N12CC(C)(C)C[C@@H]17.c16cc8[nH]c1C.Cc1cnoc15.C8(F)(F)F.C25=O.C36=O.C47.N34
|
COC(=O)c1ccc2c(n1)N(C(=O)c1nccn3c(Br)cnc13)CCO2
|
COC=O)cccccn6)NC=O)cnccncBr)cnc95))))))))))CCO6
|
[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=N][C][=C][N][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][O][Ring2][Ring1][Ring1]
|
c16ccc2c(n1)N5CCO2.c17nccn2c(Br)cnc12.C46=O.C57=O.CO4
|
Cc1c(N)ccc(C(=O)N2CC(NC(=O)[C@@H]3CCCCN3C)C2)c1Cl
|
CccN)cccC=O)NCCNC=O)[C@@H]CCCCN6C)))))))))C4)))))c6Cl
|
[C][C][=C][Branch1][C][N][C][=C][C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][Branch1][#C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][Cl]
|
Cc1c(N)ccc8c1Cl.[C@@H]17CCCCN1C.N14CC6C1.C48=O.C57=O.N56
|
CC[C@H]1CCCN(C(=O)[C@@H](C)N2CC(C)C2)[C@H]1C(=O)NCc1ncsn1
|
CC[C@H]CCCNC=O)[C@@H]C)NCCC)C4))))))[C@H]6C=O)NCcncsn5
|
[C][C][C@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][C][Branch1][C][C][C][Ring1][Branch1][C@H1][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][=C][S][N][=Ring1][Branch1]
|
[C@H]19CCCN3[C@H]17.C3(=O)[C@H]5C.N15CC(C)C1.c18ncsn1.C47=O.CC9.N46.C68
|
C[C@]1(C(=O)N[C@@H]2CCCC[C@@H]2CNC(=O)Cc2cc[nH]n2)CCCCO1
|
C[C@]C=O)N[C@@H]CCCC[C@@H]6CNC=O)Cccc[nH]n5)))))))))))))))))CCCCO6
|
[C][C@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][C][C][=C][NH1][N][=Ring1][Branch1][C][C][C][C][O][Ring2][Ring1][=Branch2]
|
C[C@]17CCCCO1.[C@@H]16CCCC[C@@H]19.c18cc[nH]n1.C4(=O)C8.C37=O.N36.C59.N45
|
CC(C)(CCC(=O)NC1(CO)CCC1)NC(=O)c1c[nH]c(=O)cn1
|
CCC)CCC=O)NCCO))CCC4))))))))NC=O)cc[nH]c=O)cn6
|
[C][C][Branch1][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=Branch1][C][=O][C][=N][Ring1][#Branch1]
|
CC4(C)CCC2=O.c16c[nH]c(=O)cn1.C157CCC1.C36=O.N25.C7O.N34
|
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