SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
---|---|---|---|
CC(C)(C)c1ccc(CC(=O)N2C[C@H]3C[C@@H](C2)C3NC(=O)[C@H](F)C(C)(C)O)cc1
|
CCC)C)ccccCC=O)NC[C@H]C[C@@H]C6)C4NC=O)[C@H]F)CC)C)O)))))))))))))cc6
|
[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][O][C][=C][Ring2][Ring1][=Branch2]
|
N14C[C@H]2C[C@@H](C1)C26.C5(=O)[C@H](F)C(C)(C)O.c17ccc8cc1.CC7(C)C.C8C4=O.N56
|
C[C@H](Cc1cccc(Br)c1)C(=O)N1[C@@H]2C[C@H]2C[C@H]1C(=O)N1CC2CCC1CC2
|
C[C@H]CcccccBr)c6)))))))C=O)N[C@@H]C[C@H]3C[C@H]6C=O)NCCCCC6CC6
|
[C][C@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][C@H1][Ring1][Ring1][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]
|
N14CC2CCC1CC2.c16cccc(Br)c1.N13[C@H]5C[C@@H]2C[C@H]21.C[C@H](C6)C3=O.C45=O
|
CCN(C)[C@H]1C[C@@H](C(=O)N2[C@H]3CC=C(C(=O)NCC[C@H](C)C(F)F)[C@H]2CC3)C1
|
CCNC)[C@H]C[C@@H]C=O)N[C@H]CC=CC=O)NCC[C@H]C)CF)F)))))))[C@H]6CC7)))))))))C4
|
[C][C][N][Branch1][C][C][C@H1][C][C@@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][=C][Branch1][P][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][C][C][C][Branch1][C][F][F][C@H1][Ring1][S][C][C][Ring1][P][C][Ring2][Ring1][Branch2]
|
N14[C@H]2CC=C(C5=O)[C@H]1CC2.C7C[C@H](C)C(F)F.[C@H]18C[C@@H]9C1.N68C.C49=O.CC6.N57
|
Cn1cc(SCC(=O)N2CCC[C@@]2(C)CNC(=O)C23CCC(CC2)CC3)cn1
|
CnccSCC=O)NCCC[C@@]5C)CNC=O)CCCCCC6))CC6)))))))))))))))))cn5
|
[C][N][C][=C][Branch2][Ring2][Branch1][S][C][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][O]
|
C128CCC(CC1)CC2.N14CCC[C@]19C.Cn1cc%10cn1.C7C4=O.C58=O.S7%10.C69.N56
|
C[C@]1(CNC(=O)C=Cc2nccs2)CCCN1C(=O)[C@@H]1CCCN1C1CC1
|
C[C@]CNC=O)C=Ccnccs5))))))))))CCCN5C=O)[C@@H]CCCN5CCC3
|
[C][C@][Branch1][S][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][S][Ring1][Branch1][C][C][C][N][Ring1][S][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
C[C@]19CCCN14.C=8c1nccs1.[C@@H]17CCCN16.C3(=O)C=8.C47=O.C16CC1.C59.N35
|
Cc1cccn2ncc(C(=O)Oc3ccc(OC(F)F)cc3F)c12
|
CccccnnccC=O)OccccOCF)F)))cc6F)))))))))c95
|
[C][C][=C][C][=C][N][N][=C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][F][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1]
|
Cc1cccn2ncc7c12.c15ccc6cc1F.O6C(F)F.C47=O.O45
|
COC[C@H](C)CC(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@]1(C)CCNC(=O)C1
|
COC[C@H]C)CC=O)NC)C[C@@H]O)CNC)C=O)[C@]C)CCNC=O)C6
|
[C][O][C][C@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][Branch1][C][O][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Ring1][Branch2]
|
[C@@]17(C)CCNC(=O)C1.C4[C@H](C)CC2=O.C5[C@@H](O)C6.N25C.N36C.C37=O.CO4
|
CCC[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N1CCO[C@H](c2ccc(F)c(F)c2)C1
|
CCC[C@@H]C)C=O)NCCC[C@@H]5C=O)NCCO[C@H]ccccF)cF)c6))))))C6
|
[C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C]
|
c16ccc(F)c(F)c1.CCC[C@@H](C)C3=O.N14CCO[C@H]6C1.N13CCC[C@@H]15.C45=O
|
CCOCCCCC(=O)N1CCC(CCC(=O)N[C@@H]2CC[C@@H]3C[C@H]32)CC1
|
CCOCCCCC=O)NCCCCCC=O)N[C@@H]CC[C@@H]C[C@H]36))))))))))CC6
|
[C][C][O][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][C][C@H1][Ring1][Ring1][Ring1][=Branch1][C][C][Ring1][P]
|
C7CCCC4=O.N14CCC9CC1.[C@@H]18CC[C@@H]2C[C@H]21.C9CC5=O.CC6.O67.N58
|
CSc1cc(C(=O)NC[C@@H](O)CNC(=O)c2cnc3c(c2)nc(O)n3C)co1
|
CScccC=O)NC[C@@H]O)CNC=O)ccnccc6)ncO)n5C))))))))))))))))co5
|
[C][S][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch1][C][O][N][Ring1][#Branch1][C][=C][O][Ring2][Ring1][#Branch2]
|
c19cnc2c(c1)nc(O)n2C.c1%10cc8co1.C6[C@@H](O)C7.C48=O.C59=O.CS%10.N46.N57
|
COc1cncc(C(=O)N(C)[C@H]2CCN(c3ncc([N+](=O)[O-])cc3Cl)C2)c1
|
COccnccC=O)NC)[C@H]CCNcncc[N+]=O)[O-]))cc6Cl)))))))C5)))))))c6
|
[C][O][C][=C][N][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][C][C][N][Branch1][P][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][Cl][C][Ring1][#C][=C][Ring2][Ring1][=Branch2]
|
c16ncc([N+](=O)[O-])cc1Cl.c15cncc8c1.[C@H]17CCN6C1.C48=O.N47C.CO5
|
Cc1csnc1C(=O)N[C@H](C)[C@@H]1CCN(C(=O)C2CC3(CC(C)C3)C2)C1
|
Cccsnc5C=O)N[C@H]C)[C@@H]CCNC=O)CCCCCC)C4)))C4)))))C5
|
[C][C][=C][S][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][C][Branch1][C][C][C][Ring1][Branch1][C][Ring1][Branch2][C][Ring1][#C]
|
C18CC2(C1)CC(C)C2.Cc1csnc17.[C@@H]19CCN5C1.C47=O.[C@H]69C.C58=O.N46
|
Cc1cc(C(=O)N2C[C@H](C)C[C@H](NC(=O)CSCc3cccs3)C2)ncc1C#N
|
CcccC=O)NC[C@H]C)C[C@H]NC=O)CSCccccs5))))))))))C6)))))))ncc6C#N
|
[C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][S][C][C][=C][C][=C][S][Ring1][Branch1][C][Ring2][Ring1][C][=N][C][=C][Ring2][Ring1][#Branch2][C][#N]
|
Cc1cc9ncc1C#N.N14C[C@@H]8C[C@@H](C)C1.c1%10cccs1.C5(=O)C6.C49=O.N58.S67.C7%10
|
C=CCCCC(=O)N[C@H](C)[C@@H](CCc1ccccc1)NC(=O)c1csc(S)n1
|
C=CCCCC=O)N[C@H]C)[C@@H]CCcccccc6))))))))NC=O)ccscS)n5
|
[C][=C][C][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][C][S][=N][Ring1][=Branch1]
|
C=CCCCC2=O.[C@@H]4(C)[C@H]5CC7.c17ccccc1.c16csc(S)n1.C36=O.N24.N35
|
O=C(NCCc1ccc(Cl)cc1Cl)c1ccncc1-c1ccccc1F
|
O=CNCCccccCl)cc6Cl))))))))))cccncc6-cccccc6F
|
[O][=C][Branch1][S][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
c15ccc(Cl)cc1Cl.c14ccncc16.c16ccccc1F.O=C24.C3C5.N23
|
C[C@@H]1C[C@H](C(=O)N[C@]23CCC[C@H]2N(C(=O)[C@H]2CCn4ncnc4C2)CC3)CCS1
|
C[C@@H]C[C@H]C=O)N[C@]CCC[C@H]5NC=O)[C@H]CCnncnc5C9))))))))))CC8))))))))))CCS6
|
[C][C@@H1][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@][C][C][C][C@H1][Ring1][Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][C][C][N][N][=C][N][=C][Ring1][Branch1][C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1][C][C][S][Ring2][Ring1][N]
|
[C@]127CCC[C@H]1N6CC2.[C@H]19CCn2ncnc2C1.C[C@@H]1C[C@H]8CCS1.C58=O.C69=O.N57
|
CCOC1CN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)C2(C)CC(F)C2)C1
|
CCOCCNC=O)[C@@H]C[C@@H]C[C@@H]3N6C=O)CC)CCF)C4))))))))))))C4
|
[C][C][O][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][F][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2]
|
[C@@H]18C[C@@H]2C[C@@H]2N15.C19(C)CC(F)C1.C17CN4C1.C48=O.C59=O.CC6.O67
|
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)N2CCCCO2)CC1
|
CCC)C)OC=O)N[C@H]CC[C@H]CNC=O)NCCCCO6)))))))))CC6
|
[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][N][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][S]
|
C5(=O)N1CCCCO1.[C@H]18CC[C@H]9CC1.CC6(C)C.C34=O.O36.N48.C79.N57
|
C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)CN(C(=O)c2cccc(Cl)c2F)C1
|
C[C@H]C[C@H]NC=O)[C@@H]C[C@@H]C=C[C@H]6C5)))))))))CNC=O)cccccCl)c6F))))))))C6
|
[C][C@H1][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][=C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring2][Ring1][#Branch2]
|
C[C@H]1C[C@H]6CN5C1.c18cccc(Cl)c1F.[C@@H]17C[C@@H]2C=C[C@H]1C2.C47=O.C58=O.N46
|
CC(=O)N[C@H](C(=O)N(C)CC(C)(C)NC(=O)c1cc(F)cc(F)c1)[C@H](C)O
|
CC=O)N[C@H]C=O)NC)CCC)C)NC=O)cccF)ccF)c6))))))))))))[C@H]C)O
|
[C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C@H1][Branch1][C][C][O]
|
c18cc(F)cc(F)c1.[C@@H]5(C3=O)[C@H](C)O.C6C7(C)C.CC2=O.N36C.C48=O.N25.N47
|
Cc1nc(C(=O)N2CCC(NC(=O)c3c[nH]c4cc(O)ccc34)CC2)cs1
|
CcncC=O)NCCCNC=O)cc[nH]cccO)ccc96)))))))))))CC6)))))))cs5
|
[C][C][=N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1][=C][S][Ring2][Ring1][#Branch2]
|
c19c[nH]c2cc(O)ccc12.N15CCC7CC1.Cc1nc8cs1.C58=O.C69=O.N67
|
COCCCn1cc(C(=O)N2CCN(CCN=c3[nH]nc(CO)s3)CC2)cn1
|
COCCCnccC=O)NCCNCCN=c[nH]ncCO))s5))))))))CC6)))))))cn5
|
[C][O][C][C][C][N][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][N][Branch1][#C][C][C][N][=C][NH1][N][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1][C][C][Ring1][S][C][=N][Ring2][Ring1][#Branch1]
|
C6CN=c1[nH]nc9s1.N14CCN6CC1.n18cc7cn1.C5CC8.C47=O.CO5.C9O
|
COCc1cc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)CN2C[C@H]3C[C@H]3C2)n[nH]1
|
COCcccC=O)N[C@H]CCCC[C@@H]6NC=O)CNC[C@H]C[C@H]3C6)))))))))))))))))n[nH]5
|
[C][O][C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][C@H1][C][C@H1][Ring1][Ring1][C][Ring1][=Branch1][=N][NH1][Ring2][Ring1][Branch2]
|
[C@H]18CCCC[C@@H]19.c1%11cc%10n[nH]1.N17C[C@H]2C[C@H]2C1.C5(=O)C7.C4%10=O.CO6.C6%11.N48.N59
|
CCc1ncsc1C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccn(C2CC2)n1
|
CCcncsc5C=O)NC[C@@H]O)C[C@H]5C=O)NCcccnCCC3)))n5
|
[C][C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=Ring1][Branch2]
|
N13C[C@@H](O)C[C@H]16.c18ncsc17.c19ccn%10n1.C37=O.C46=O.C1%10CC1.CC8.N45.C59
|
C=C(C)CCC(=O)N[C@@H]1CCN(C(=O)c2cc([C@@H]3CCOC3)[nH]n2)C1
|
C=CC)CCC=O)N[C@@H]CCNC=O)ccc[C@@H]CCOC5)))))[nH]n5))))))C5
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][NH1][N][=Ring1][#Branch2][C][Ring1][P]
|
C=C(C)CCC4=O.[C@@H]16CCN5C1.c17cc8[nH]n1.[C@@H]18CCOC1.C57=O.N46
|
C[C@@H]1CCCC[C@@H]1CC(=O)N1CCN(C(=O)CC2CSC2)C2(CCC2)C1
|
C[C@@H]CCCC[C@@H]6CC=O)NCCNC=O)CCCSC4))))))CCCC4)))C6
|
[C][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][C][C][S][C][Ring1][Ring2][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][S]
|
N13CCN4C2(CCC2)C1.C[C@@H]1CCCC[C@@H]15.C5C3=O.C4(=O)C6.C16CSC1
|
Cc1cccc(C(=O)N[C@@H](C)CCNC(=O)[C@H](O)c2cccc(N)c2)c1
|
CcccccC=O)N[C@@H]C)CCNC=O)[C@H]O)cccccN)c6))))))))))))))c6
|
[C][C][=C][C][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2]
|
Cc1cccc7c1.c18cccc(N)c1.[C@H]5(C)CC6.C4(=O)[C@@H]8O.C37=O.N35.N46
|
Cc1cc(C(=O)N2C[C@@H]3CC(NC(=O)c4cc(S(N)(=O)=O)co4)C[C@H]3C2)no1
|
CcccC=O)NC[C@@H]CCNC=O)cccSN)=O)=O))co5)))))))C[C@H]5C8)))))))))no5
|
[C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C@@H1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][O][Ring1][=Branch2][C][C@H1][Ring1][P][C][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][O]
|
N15C[C@@H]2CC7C[C@H]2C1.c19cc(S(N)(=O)=O)co1.Cc1cc8no1.C58=O.C69=O.N67
|
CCC[C@H](NC(=O)[C@H]1CN(C(=O)[C@@](C)(F)C(=O)OC)CC1(F)F)c1ccco1
|
CCC[C@H]NC=O)[C@H]CNC=O)[C@@]C)F)C=O)OC)))))CC5F)F))))))))cccco5
|
[C][C][C][C@H1][Branch2][Ring2][Branch1][N][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][F][C][=Branch1][C][=O][O][C][C][C][Ring1][=C][Branch1][C][F][F][C][=C][C][=C][O][Ring1][Branch1]
|
[C@H]16CN4CC1(F)F.C4(=O)[C@@](C)(F)C2=O.CCC[C@H]57.c17ccco1.C36=O.N35.O2C
|
CC[C@@H](O)C(=O)N1CCN(C(=O)C(C)(C)c2cscn2)CC(C)(C)C1
|
CC[C@@H]O)C=O)NCCNC=O)CC)C)ccscn5)))))))CCC)C)C7
|
[C][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][S][C][=N][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1]
|
N13CCN4CC(C)(C)C1.CC[C@@H](O)C3=O.C4(=O)C5(C)C.c15cscn1
|
O=C(Nc1cc(Cl)c(Cl)cc1F)[C@@H]1C[C@@H](O)CN1c1ccnc(N2CCCC2)n1
|
O=CNcccCl)cCl)cc6F))))))))[C@@H]C[C@@H]O)CN5cccncNCCCC5)))))n6
|
[O][=C][Branch1][P][N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][F][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=C][C][=N][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=N][Ring1][O]
|
c16cc(Cl)c(Cl)cc1F.[C@@H]17C[C@@H](O)CN14.c14ccnc5n1.N15CCCC1.O=C37.N36
|
Cc1nc(CN2CCC[C@@H](N(C)C(=O)N(C)CCC(F)(F)F)C2)no1
|
CcncCNCCC[C@@H]NC)C=O)NC)CCCF)F)F)))))))C6)))))))no5
|
[C][C][=N][C][Branch2][Ring2][Ring2][C][N][C][C][C][C@@H1][Branch2][Ring1][#Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][C][=N][O][Ring2][Ring1][Branch2]
|
N15CCC[C@@H]7C1.Cc1nc8no1.C6CC(F)(F)F.N37C.C34=O.N46C.C58
|
COC1(OC)CC(C(=O)N2CC[C@H](NC(=O)[C@@H](C)Cc3cnco3)C[C@H](O)C2)C1
|
COCOC))CCC=O)NCC[C@H]NC=O)[C@@H]C)Cccnco5)))))))))C[C@H]O)C7))))))))C4
|
[C][O][C][Branch1][Ring1][O][C][C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][C][=C][N][=C][O][Ring1][Branch1][C][C@H1][Branch1][C][O][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O]
|
N14CC[C@H]8C[C@H](O)C1.C167CC9C1.C5(=O)[C@@H](C)C%10.c1%10cnco1.C49=O.CO6.O7C.N58
|
C=CC[C@@H](NC(C)=O)C(=O)N1CCC[C@@]1(CC)C(=O)NCCOC(C)(C)CC
|
C=CC[C@@H]NCC)=O)))C=O)NCCC[C@@]5CC))C=O)NCCOCC)C)CC
|
[C][=C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C][C@@][Ring1][Branch1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][C][C][Branch1][C][C][C][C]
|
C=CC[C@@H]7C3=O.N13CCC[C@]19%10.C6(C)(C)CC.C2(C)=O.C49=O.C8C5.N27.C%10C.N48.O56
|
CSCC(O)C(=O)N1CCCC2(CCCN2C(=O)CSCCN(C)C)C1
|
CSCCO)C=O)NCCCCCCCN5C=O)CSCCNC)C)))))))))))C6
|
[C][S][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][C][N][Branch1][C][C][C][C][Ring2][Ring1][Ring1]
|
N13CCCC2(CCCN24)C1.C6C(O)C3=O.C4(=O)C7.C8C5.N5(C)C.CS6.S78
|
CCC[C@H](CC)C(=O)N[C@@H](C)/C=C/C(=O)N1CCC(C#N)CC1
|
CCC[C@H]CC))C=O)N[C@@H]C)/C=C/C=O)NCCCC#N))CC6
|
[C][C][C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][/C][=C][/C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch2]
|
CCC[C@H](CC)C2=O.N13CCC(C#N)CC1.[C@H]4(C)C=5.C=5C3=O.N24
|
Cc1ncc(C(=O)N2C[C@@H](CNC(=O)[C@H](C)CS(C)(=O)=O)OC(C)(C)C2)s1
|
CcnccC=O)NC[C@@H]CNC=O)[C@H]C)CSC)=O)=O)))))))OCC)C)C6)))))))s5
|
[C][C][=N][C][=C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][O][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][#Branch2]
|
N13C[C@@H]7OC(C)(C)C1.C4(=O)[C@H](C)CS(C)(=O)=O.Cc1ncc6s1.C36=O.C57.N45
|
Cc1coc(C(=O)N2CCC[C@@H]2CN(C)C(=O)c2cccn3c(O)nnc23)c1C
|
CccocC=O)NCCC[C@@H]5CNC)C=O)ccccncO)nnc95))))))))))))))))))c5C
|
[C][C][=C][O][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][N][C][Branch1][C][O][=N][N][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][O][C]
|
c18cccn2c(O)nnc12.Cc1coc7c1C.N14CCC[C@@H]19.C47=O.N56C.C58=O.C69
|
C#C[C@H]1[C@H](C(=O)N2CC[C@@H](C(C)(C)NC(=O)c3sc(=NCC)[nH]c3C)C2)C1(C)C
|
C#C[C@H][C@H]C=O)NCC[C@@H]CC)C)NC=O)csc=NCC)))[nH]c5C)))))))))C5))))))C3C)C
|
[C][#C][C@H1][C@H1][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch2][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=Branch1][Ring2][=N][C][C][NH1][C][=Ring1][Branch2][C][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][=Branch2][Branch1][C][C][C]
|
c17sc(=NCC)[nH]c1C.C#C[C@H]1[C@H]8C1(C)C.N14CC[C@@H]9C1.C69(C)C.C48=O.C57=O.N56
|
C=C(C)Cn1nnnc1[C@H](NCCc1nc(C2CC2)no1)C1(C)CC(C)C1
|
C=CC)Cnnnnc5[C@H]NCCcncCCC3)))no5))))))))CC)CCC)C4
|
[C][=C][Branch1][C][C][C][N][N][=N][N][=C][Ring1][Branch1][C@H1][Branch2][Ring1][C][N][C][C][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][O][Ring1][Branch2][C][Branch1][C][C][C][C][Branch1][C][C][C][Ring1][=Branch1]
|
n15nnnc16.c17nc9no1.C18(C)CC(C)C1.C=C(C)C5.[C@H]368.C4C7.C19CC1.N34
|
CC1(C)C[C@@H](CC(=O)N[C@H]2CCO[C@H](CNC(=O)[C@H]3CC[C@H](C)CC3)C2)CO1
|
CCC)C[C@@H]CC=O)N[C@H]CCO[C@H]CNC=O)[C@H]CC[C@H]C)CC6)))))))))C6)))))))))CO5
|
[C][C][Branch1][C][C][C][C@@H1][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][P][C][O][Ring2][Ring1][O]
|
CC1(C)C[C@@H]%10CO1.[C@H]17CCO[C@H]9C1.[C@H]18CC[C@H](C)CC1.C%10C4=O.C58=O.N47.C69.N56
|
COCCC1(C(=O)N[C@H](CNC(=O)[C@@]2(C)CC2(C)C)C2CCCCC2)CCC1
|
COCCCC=O)N[C@H]CNC=O)[C@@]C)CC3C)C)))))))CCCCCC6)))))))))CCC4
|
[C][O][C][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch2]
|
[C@]19(C)CC1(C)C.C1%11CCCCC1.C18%10CCC1.[C@H]6%11C7.C5C%10.C38=O.C49=O.CO5.N36.N47
|
CC(=O)Nc1ccc(/C=C/C(=O)N2CC[C@@H](CNC(=O)C3=CCC3)C2(C)C)cc1
|
CC=O)Ncccc/C=C/C=O)NCC[C@@H]CNC=O)C=CCC4)))))))C5C)C)))))))))cc6
|
[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][/C][=C][/C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C][=C][C][C][Ring1][Ring2][C][Ring1][=N][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2]
|
c18ccc(C=9)cc1.N15CC[C@@H]%10C1(C)C.C6(=O)C1=CCC1.C=9C5=O.CC4=O.N48.C7%10.N67
|
CC(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CSc2nccn2C(C)(C)C)C[C@H](O)C1
|
CC=O)N[C@@H]C)C=O)NCCNC=O)CScnccn5CC)C)C))))))))))C[C@H]O)C7
|
[C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Ring2][Ring1][Branch1]
|
N14CCN5C[C@H](O)C1.c19nccn18.[C@H]6(C)C4=O.C5(=O)C7.C8(C)(C)C.CC3=O.N36.S79
|
CC=C(CC)C(=O)NCc1nc(C2CCN(C(=O)C3CC(OCC)C3)CC2)n[nH]1
|
CC=CCC))C=O)NCcncCCCNC=O)CCCOCC)))C4)))))CC6))))))n[nH]5
|
[C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=N][C][Branch2][Ring1][#Branch2][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][Branch1][Ring2][O][C][C][C][Ring1][#Branch1][C][C][Ring1][#C][=N][NH1][Ring2][Ring1][Ring2]
|
C1%12CCN5CC1.C=%10(CC)C4=O.c1%11nc%12n[nH]1.C19CC7C1.C59=O.CC=%10.N48.C8%11.O67.C6C
|
Nc1cc(Cl)ncc1C(=O)N1CC[C@@H](N2CCN(C(=O)C3CCCCC3)CC2)C1
|
NcccCl)ncc6C=O)NCC[C@@H]NCCNC=O)CCCCCC6)))))))CC6))))))C5
|
[N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][C][Ring2][Ring1][Ring1]
|
Nc1cc(Cl)ncc18.N16CCN5CC1.N14CC[C@@H]6C1.C17CCCCC1.C48=O.C57=O
|
CC[C@H](CN(C)C)C(=O)N1CC[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1CO
|
CC[C@H]CNC)C)))C=O)NCC[C@H]4C=O)NCCC[C@@H]C)[C@H]6CO
|
[C][C][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][O]
|
N13CCC[C@@H](C)[C@H]16.CC[C@H](C4)C2=O.N12CC[C@H]15.N4(C)C.C35=O.C6O
|
CCOC[C@H]1CCN(C(=O)[C@]2(NC(=O)C(=O)C[C@H](C)CC)C[C@@H](O)C2)C1
|
CCOC[C@H]CCNC=O)[C@]NC=O)C=O)C[C@H]C)CC)))))))C[C@@H]O)C4)))))C5
|
[C][C][O][C][C@H1][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@][Branch1][P][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][C][C][C@@H1][Branch1][C][O][C][Ring1][#C][C][Ring2][Ring1][=Branch1]
|
C4(=O)C(=O)C[C@H](C)CC.[C@H]19CCN3C1.[C@]178C[C@@H](O)C1.C38=O.CC5.O56.C69.N47
|
CCSCC(=O)N1[C@H](Cn2cc([C@@H]3CCCOC3)nn2)C[C@@H]2CCC[C@@H]21
|
CCSCC=O)N[C@H]Cncc[C@@H]CCCOC6))))))nn5))))))C[C@@H]CCC[C@@H]58
|
[C][C][S][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][N][C][=C][Branch1][=Branch2][C@@H1][C][C][C][O][C][Ring1][=Branch1][N][=N][Ring1][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring2][Ring1][Ring2]
|
N14[C@H]8C[C@@H]2CCC[C@@H]21.n17cc9nn1.[C@@H]19CCCOC1.C6C4=O.CC5.S56.C78
|
CCOC(=O)[C@H]1CC[C@H]1C(=O)N1CCCC[C@@H]1CN(C)C(=O)C1=C(C)CC1
|
CCOC=O)[C@H]CC[C@H]4C=O)NCCCC[C@@H]6CNC)C=O)C=CC)CC4
|
[C][C][O][C][=Branch1][C][=O][C@H1][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][C][Ring1][Branch1]
|
N13CCCC[C@@H]19.C4(=O)C1=C(C)CC1.[C@H]17CC[C@H]18.C27=O.C38=O.N46C.CC5.O25.C69
|
CC(C)C(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)c2ccc3nsnc3c2)C1
|
CCC)CC)C)C=O)NC[C@@H]CCCNC=O)ccccnsnc5c9))))))))))C6
|
[C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][S][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][Ring1][P]
|
c17ccc2nsnc2c1.CC(C)C(C)(C)C4=O.[C@@H]18CCCN5C1.C57=O.N46.C68
|
CCC1(CC)CN(C(=O)c2c(C(=O)OC(C)(C)C)cnn2C)CC[S@@+]1[O-]
|
CCCCC))CNC=O)ccC=O)OCC)C)C))))cnn5C)))))))CC[S@@+]6[O-]
|
[C][C][C][Branch1][Ring1][C][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=N][N][Ring1][N][C][C][C][S@@+1][Ring2][Ring1][#Branch1][O-1]
|
C189CN4CC[S@@+]1[O-].c16c7cnn1C.C5(C)(C)C.C46=O.C37=O.CC8.C9C.O35
|
CN1CC[C@H](CCNC(=O)[C@@H]2CCN(C(=O)C3(c4ccccc4)CC3)O2)C1
|
CNCC[C@H]CCNC=O)[C@@H]CCNC=O)Ccccccc6))))))CC3))))O5)))))))))C5
|
[C][N][C][C][C@H1][Branch2][Ring2][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][O][Ring1][S][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CCN(C8=O)O1.CN1CC[C@H]9C1.c1%10ccccc1.C18%10CC1.C9C6.C57=O.N56
|
CC(C)CCCCCC(=O)NC1CC2(C1)C[C@@H]2N=c1[nH]nc(CO)s1
|
CCC)CCCCCC=O)NCCCC4)C[C@@H]3N=c[nH]ncCO))s5
|
[C][C][Branch1][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C@@H1][Ring1][Ring2][N][=C][NH1][N][=C][Branch1][Ring1][C][O][S][Ring1][#Branch1]
|
C14CC2(C1)C[C@@H]2N=c1[nH]nc5s1.CC(C)CCCCCC3=O.N34.C5O
|
C=C=CCC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C1=CCOC1
|
C=C=CCC=O)N[C@H]CCCC[C@@H]6NC=O)C=CCOC5
|
[C][=C][=C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][O][C][Ring1][Branch1]
|
[C@H]14CCCC[C@@H]15.C3(=O)C1=CCOC1.C=C=CCC2=O.N24.N35
|
COC[C@]1(NC(=O)C[C@H]2CCC(=O)N2)CCN(C(=O)c2cc(C#N)cs2)C1
|
COC[C@]NC=O)C[C@H]CCC=O)N5))))))))CCNC=O)cccC#N))cs5))))))C5
|
[C][O][C][C@][Branch1][P][N][C][=Branch1][C][=O][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][S][Ring1][#Branch1][C][Ring2][Ring1][Branch2]
|
[C@]169CCN4C1.c17cc(C#N)cs1.[C@H]18CCC(=O)N1.C3(=O)C8.C47=O.CO5.C59.N36
|
CCOc1ccc(OC(C)(C)C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCC2)cc1
|
CCOccccOCC)C)C=O)N[C@@H]CCCC[C@H]6NC=O)CCCC4))))))))))))))))cc6
|
[C][C][O][C][=C][C][=C][Branch2][Ring1][P][O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]
|
c17ccc8cc1.[C@@H]19CCCC[C@H]1%10.C6(C)(C)C3=O.C1%11CCC1.C4%11=O.CC5.O57.O68.N39.N4%10
|
Cc1cc(C(=O)N2CCC3(C2)CN(C(=O)c2cc(F)c(F)c(F)c2)C3)cc(O)n1
|
CcccC=O)NCCCC5)CNC=O)cccF)cF)cF)c6)))))))C4))))))))ccO)n6
|
[C][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Ring1][S][=C][C][Branch1][C][O][=N][Ring2][Ring1][N]
|
N14CCC2(C1)CN5C2.c17cc(F)c(F)c(F)c1.Cc1cc6cc(O)n1.C46=O.C57=O
|
Cc1ncc(C(=O)N[C@@H](C)CCN(C)C(=O)[C@@H]2CC(C)(C)CO2)c(C)n1
|
CcnccC=O)N[C@@H]C)CCNC)C=O)[C@@H]CCC)C)CO5))))))))))))cC)n6
|
[C][C][=N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch1][C][Branch1][C][C][=N][Ring2][Ring1][=Branch2]
|
Cc1ncc8c(C)n1.[C@@H]17CC(C)(C)CO1.[C@H]5(C)CC6.C38=O.N46C.C47=O.N35
|
C#CCOCC(=O)N(C)CCCNC(=O)c1ccc(N2CCCCC2)cc1
|
C#CCOCC=O)NC)CCCNC=O)ccccNCCCCC6))))))cc6
|
[C][#C][C][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N]
|
c1%10ccc9cc1.N19CCCCC1.C6C3=O.C7CC8.C#CC5.N37C.C4%10=O.O56.N48
|
COc1cc(C(=O)NC[C@@]2(F)CC[C@H](CNC(=O)[C@H](C)OC)C2)c(F)cn1
|
COcccC=O)NC[C@@]F)CC[C@H]CNC=O)[C@H]C)OC))))))C5))))))))cF)cn6
|
[C][O][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C@@][Branch1][C][F][C][C][C@H1][Branch1][=N][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][O][C][C][Ring1][=C][=C][Branch1][C][F][C][=N][Ring2][Ring1][=Branch2]
|
c16cc9c(F)cn1.[C@]1%10(F)CC[C@H]%11C1.C4(=O)[C@@H]5C.C39=O.CO6.N37.C7%10.C8%11.N48.O5C
|
CCOCCC(=O)N1CCC[C@@](C)(NC(=O)[C@H](CC(F)F)c2ccccc2)C1
|
CCOCCC=O)NCCC[C@@]C)NC=O)[C@H]CCF)F)))cccccc6)))))))))C6
|
[C][C][O][C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][C][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
N13CCC[C@]7(C)C1.C4(=O)[C@@H]8CC(F)F.c18ccccc1.C6CC3=O.CC5.O56.N47
|
COC[C@@]1(CN=c2[nH]c3cc(OC)ccc3n2Cc2ccccc2)CCOC1
|
COC[C@@]CN=c[nH]cccOC))ccc6n9Ccccccc6))))))))))))))))))CCOC5
|
[C][O][C][C@@][Branch2][Ring1][=N][C][N][=C][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][N][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][Ring2][Ring1][=Branch2]
|
C8N=c1[nH]c2cc5ccc2n16.[C@]178CCOC1.c19ccccc1.CO4.C47.O5C.C69
|
C[C@H](CC(=O)N[C@@H](CO)C(=O)N1CC(C)(C)C[C@@H]1C)n1cccn1
|
C[C@H]CC=O)N[C@@H]CO))C=O)NCCC)C)C[C@@H]5C)))))))))))ncccn5
|
[C][C@H1][Branch2][Ring1][=C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Ring1][#Branch1][C][N][C][=C][C][=N][Ring1][Branch1]
|
N13CC(C)(C)C[C@@H]1C.C[C@@H]5CC2=O.[C@H]4(CO)C3=O.n15cccn1.N24
|
CN(CCCCNC(=O)c1ccc(C(N)=O)[nH]1)C(=O)CCCSC(C)(C)C
|
CNCCCCNC=O)ccccCN)=O))[nH]5)))))))))))C=O)CCCSCC)C)C
|
[C][N][Branch2][Ring1][Branch2][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][NH1][Ring1][Branch2][C][=Branch1][C][=O][C][C][C][S][C][Branch1][C][C][Branch1][C][C][C]
|
c18ccc9[nH]1.C3(=O)CCC6.C4CCC5.C7(C)(C)C.CN34.C28=O.C9(N)=O.N25.S67
|
CN1C[C@H](O)CC[C@@H]1C(=O)NCCNC(C)(C)C
|
CNC[C@H]O)CC[C@@H]6C=O)NCCNCC)C)C
|
[C][N][C][C@H1][Branch1][C][O][C][C][C@@H1][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][Branch1][C][C][C]
|
CN1C[C@H](O)CC[C@@H]16.C5(C)(C)C.C26=O.C3C4.N23.N45
|
C[C@@H](CF)CC(=O)N(C)C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)CC12CC2
|
C[C@@H]CF))CC=O)NC)C[C@@H]CNC=O)cccC#N))c[nH]5))))))CC5CC3
|
[C][C@@H1][Branch1][Ring1][C][F][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][NH1][Ring1][#Branch1][C][C][Ring1][=C][C][C][Ring1][Ring1]
|
[C@@H]17CN4CC12CC2.C[C@@H](CF)CC3=O.c16cc(C#N)c[nH]1.N35C.C46=O.C57
|
CO[C@]1(C(F)(F)F)C[C@@H](NC(=O)NCc2nc(C(C)(C)C)cs2)C1
|
CO[C@]CF)F)F))C[C@@H]NC=O)NCcncCC)C)C))cs5)))))))))C4
|
[C][O][C@][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C@@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2][C][Ring2][Ring1][=Branch1]
|
[C@]15%10C[C@H]7C1.c18nc9cs1.C%10(F)(F)F.C9(C)(C)C.C34=O.CO5.N37.N46.C68
|
COCCCOCC(=O)N[C@](C)(CNC(=O)c1cc(C#N)c(C)cn1)CC(C)C
|
COCCCOCC=O)N[C@]C)CNC=O)cccC#N))cC)cn6)))))))))CCC)C
|
[C][O][C][C][C][O][C][C][=Branch1][C][=O][N][C@][Branch1][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch1][C][C][C][=N][Ring1][=Branch2][C][C][Branch1][C][C][C]
|
c19cc(C#N)c(C)cn1.[C@]7(C)(C8)CC(C)C.C4CC5.C6C2=O.C39=O.CO4.O56.N27.N38
|
O=C(NC1C[C@@H]2CN(C(=O)C3CCC4(CC3)CC4)C[C@H]2C1)C1=CCCC1
|
O=CNCC[C@@H]CNC=O)CCCCCC6))CC3)))))))C[C@H]5C8)))))))))C=CCCC5
|
[O][=C][Branch2][Ring2][Ring2][N][C][C][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch1][C][C@H1][Ring1][#C][C][Ring2][Ring1][C][C][=C][C][C][C][Ring1][Branch1]
|
C17C[C@@H]2CN6C[C@H]2C1.C18CCC2(CC1)CC2.O=C5C1=CCCC1.C68=O.N57
|
C=CC[C@@]1(C(=O)NCCC(=O)NC(N)=O)CCN(C(=O)[C@@H](C)SCCCC)C1
|
C=CC[C@@]C=O)NCCC=O)NCN)=O))))))))CCNC=O)[C@@H]C)SCCCC)))))))C5
|
[C][=C][C][C@@][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][N][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][S][C][C][C][C][C][Ring2][Ring1][=Branch2]
|
[C@@]19%10CCN5C1.C6CC3=O.C5(=O)[C@H]7C.C8CCC.C=CC%10.C29=O.C4(N)=O.N26.N34.S78
|
O=C(NCCCC[C@@H]1CCCN(C(=O)C=Cc2ccco2)C1)/C(F)=C/CCF
|
O=CNCCCC[C@@H]CCCNC=O)C=Ccccco5))))))))C6)))))))))))/CF)=C/CCF
|
[O][=C][Branch2][Ring1][=N][N][C][C][C][C][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][#C][/C][Branch1][C][F][=C][/C][C][F]
|
[C@@H]18CCCN4C1.C=6c1ccco1.O=C3C=7F.C5CCC8.C4(=O)C=6.C=7CCF.N35
|
C=C[C@@](C)(O)CC(=O)NCC(C)(C)CN(C)C(=O)C1=Cc2ccccc2[C@@H]1O
|
C=C[C@@]C)O)CC=O)NCCC)C)CNC)C=O)C=Ccccccc6[C@@H]9O
|
[C][=C][C@@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=Branch2][O]
|
C4(=O)C1=Cc2ccccc2[C@@H]1O.C=C[C@@](C)(O)CC3=O.C5C(C)(C)C6.N46C.N35
|
CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC(C)(C)C1NC(=O)[C@H]1[C@@H]2COC[C@@H]21
|
CCC)CNC=O)[C@@H]C[C@H]3ccnc[nH]5)))))))))CCC)C)C6NC=O)[C@H][C@@H]COC[C@@H]56
|
[C][C][Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][=C][N][=C][NH1][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C@H1][C@@H1][C][O][C][C@@H1][Ring1][Branch1][Ring1][=Branch1]
|
CC1(C)CN3CC(C)(C)C15.[C@@H]17[C@H]2COC[C@@H]12.c18cnc[nH]1.[C@@H]16C[C@H]18.C36=O.C47=O.N45
|
CCC(=O)NCC(=O)N(C)CC(C)(C)NC(=O)c1cc(OC)ccc1CC
|
CCC=O)NCC=O)NC)CCC)C)NC=O)cccOC))ccc6CC
|
[C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][C]
|
c19cc5ccc1%10.C7C8(C)C.CCC2=O.C6C3=O.N37C.C49=O.N26.N48.O5C.C%10C
|
C/C=C(\C)C(=O)N1CCN(CC2(NC(=O)CN3CC[C@H](C)C3)CC2)CC1
|
C/C=C\C)C=O)NCCNCCNC=O)CNCC[C@H]C)C5))))))))CC3))))CC6
|
[C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][C][Branch1][P][N][C][=Branch1][C][=O][C][N][C][C][C@H1][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][=N][C][C][Ring2][Ring1][Ring2]
|
N14CCN6CC1.N18CC[C@H](C)C1.C=9(C)C4=O.C17%10CC1.C5(=O)C8.CC=9.C6%10.N57
|
CCCCC[C@@H](CC)C(=O)N(CCC(=O)NCC(=O)N1CC=CC1)C1CC1
|
CCCCC[C@@H]CC))C=O)NCCC=O)NCC=O)NCC=CC5)))))))))))CCC3
|
[C][C][C][C][C][C@@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=C][C][Ring1][Branch1][C][C][C][Ring1][Ring1]
|
CCCCC[C@@H](CC)C2=O.C5CC3=O.N14CC=CC1.C6C4=O.N257.C17CC1.N36
|
COC1(C(=O)N[C@@H]2C[C@H]3C[C@H]2N(C(=O)c2cccc(C)n2)C3)CCCCCCC1
|
COCC=O)N[C@@H]C[C@H]C[C@H]5NC=O)cccccC)n6)))))))C5)))))))))CCCCCCC8
|
[C][O][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][C][Ring1][=C][C][C][C][C][C][C][C][Ring2][Ring1][O]
|
C169CCCCCCC1.[C@@H]17C[C@H]2C[C@H]1N5C2.c18cccc(C)n1.C49=O.C58=O.CO6.N47
|
O=C(c1cnc2[nH]ncc2c1)N1CCC2(CC1)CN(C(=O)c1cocn1)CCO2
|
O=Cccnc[nH]ncc5c9)))))))))NCCCCC6))CNC=O)ccocn5))))))CCO6
|
[O][=C][Branch1][=C][C][=C][N][=C][NH1][N][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][O][C][=N][Ring1][Branch1][C][C][O][Ring1][#C]
|
N13CCC2(CC1)CN4CCO2.c16cnc2[nH]ncc2c1.c15cocn1.O=C36.C45=O
|
C[C@@H](c1ccc(F)cc1)c1noc(-c2ccc(Br)c3cc[nH]c23)n1
|
C[C@@H]ccccF)cc6))))))cnoc-ccccBr)ccc[nH]c95)))))))))n5
|
[C][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=N][O][C][Branch1][P][C][=C][C][=C][Branch1][C][Br][C][C][=C][NH1][C][Ring1][#Branch2][=Ring1][Branch1][=N][Ring1][#C]
|
c16ccc(Br)c2cc[nH]c12.c15ccc(F)cc1.c14noc6n1.C[C@H]45
|
Cc1cc(CCC(=O)N[C@H](C)C(C)(C)NC(=O)[C@@H](C)NC(=O)c2cccs2)on1
|
CcccCCC=O)N[C@H]C)CC)C)NC=O)[C@@H]C)NC=O)ccccs5))))))))))))))))on5
|
[C][C][C][=C][Branch2][Ring2][Branch2][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][O][N][=Ring2][Ring1][N]
|
Cc1cc%10on1.[C@@H]6(C)C7(C)C.C%10CC3=O.C4(=O)[C@H]8C.c19cccs1.C59=O.N36.N47.N58
|
C=C[C@@H](C)CCNC(=O)NC[C@](C)(O)CCO
|
C=C[C@@H]C)CCNC=O)NC[C@]C)O)CCO
|
[C][=C][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][Branch1][C][O][C][C][O]
|
C4[C@](C)(O)CCO.C=C[C@@H](C)CC3.C12=O.N13.N24
|
C[C@@H]1[C@H](C)[C@@H]1C(=O)N[C@@H]1CCCN(C(=O)CCc2cccs2)[C@@H]1C
|
C[C@@H][C@H]C)[C@@H]3C=O)N[C@@H]CCCNC=O)CCccccs5))))))))[C@@H]6C
|
[C][C@@H1][C@H1][Branch1][C][C][C@@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][=C][C][=C][S][Ring1][Branch1][C@@H1][Ring1][#C][C]
|
[C@@H]15CCCN4[C@@H]1C.C[C@H]1[C@@H]6[C@H]1C.C4(=O)CC7.c17cccs1.C36=O.N35
|
CN(C)CCn1ccc(C(=O)N[C@]2(CO)CCN(C(=O)[C@@H]3[C@H]4CCCO[C@H]43)C2)n1
|
CNC)CCncccC=O)N[C@]CO))CCNC=O)[C@@H][C@H]CCCO[C@H]67))))))))C5)))))))n5
|
[C][N][Branch1][C][C][C][C][N][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@][Branch1][Ring1][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C@H1][C][C][C][O][C@H1][Ring1][=Branch1][Ring1][#Branch1][C][Ring1][S][=N][Ring2][Ring1][Branch2]
|
[C@@]18%12CCN6C1.[C@@H]1%10[C@H]2CCCO[C@@H]12.n1%11ccc9n1.CN7C.C7C%11.C59=O.C6%10=O.N58.C%12O
|
CC1(C)[C@@H](C(=O)N[C@H]2C[C@H](NC(=O)CCc3ccc[nH]3)C2)C1(F)F
|
CCC)[C@@H]C=O)N[C@H]C[C@H]NC=O)CCcccc[nH]5)))))))))C4))))))C3F)F
|
[C][C][Branch1][C][C][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][NH1][Ring1][Branch1][C][Ring1][=C][C][Ring2][Ring1][Branch1][Branch1][C][F][F]
|
CC1(C)[C@@H]8C1(F)F.[C@H]16C[C@H]7C1.C5(=O)CC9.c19ccc[nH]1.C48=O.N46.N57
|
O=C1C[C@H]2C(C(=O)N[C@H]3CC[C@H](NC(=O)CC4=CCCC4)C3)[C@@H]2C1
|
O=CC[C@H]CC=O)N[C@H]CC[C@H]NC=O)CC=CCCC5))))))))C5)))))))[C@@H]3C6
|
[O][=C][C][C@H1][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][=C][C][C][C][Ring1][Branch1][C][Ring1][=C][C@@H1][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1]
|
C6(=O)CC1=CCCC1.O=C1C[C@H]2C9[C@@H]2C1.[C@H]17CC[C@H]8C1.C59=O.N57.N68
|
CN(Cc1nc[nH]n1)C(=O)C(C)(C)CCCNC(=O)[C@H]1CCCC(=O)N1
|
CNCcnc[nH]n5))))))C=O)CC)C)CCCNC=O)[C@H]CCCC=O)N6
|
[C][N][Branch1][=Branch2][C][C][N][=C][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1]
|
C2(=O)C(C)(C)CCC5.[C@H]16CCCC(=O)N1.c17nc[nH]n1.CN24.C36=O.C47.N35
|
C=C(C)CCC(=O)N1CC(O)(CCNC(=O)[C@@H]2C[C@@H]3COCCN3C2)C1
|
C=CC)CCC=O)NCCO)CCNC=O)[C@@H]C[C@@H]COCCN6C9)))))))))))))C4
|
[C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][C][O][C][C][N][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1]
|
[C@@H]17C[C@@H]2COCCN2C1.C=C(C)CCC4=O.N14CC8(O)C1.C8C6.C57=O.N56
|
CCCOc1nc(C)ccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](CNC(=O)C(CC)CC)C2
|
CCCOcncC)ccc6C=O)N[C@@H]CC[C@H]5[C@H]CNC=O)CCC))CC))))))C6
|
[C][C][C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][=C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][C][C][C][Ring1][#C]
|
c16nc(C)ccc18.N13[C@@H]2CC[C@H]1[C@H]9C2.C4(=O)C(CC)CC.CCC5.C38=O.O56.C79.N47
|
O=C(N[C@@H]1CC(=O)N(O)C1)[C@H]1CCN(C(=O)c2cn(C3CC3)nn2)CCO1
|
O=CN[C@@H]CC=O)NO)C5))))))[C@H]CCNC=O)ccnCCC3)))nn5))))))CCO7
|
[O][=C][Branch1][#C][N][C@@H1][C][C][=Branch1][C][=O][N][Branch1][C][O][C][Ring1][#Branch1][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][=N][Ring1][Branch2][C][C][O][Ring1][P]
|
[C@H]17CCN5CCO1.[C@@H]16CC(=O)N(O)C1.c18cn9nn1.O=C47.C58=O.C19CC1.N46
|
CC(C)CNC(=O)CN1CCC(CNC(=O)c2cc(N(C)C)ccn2)CC1
|
CCC)CNC=O)CNCCCCNC=O)cccNC)C))ccn6)))))))))CC6
|
[C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=N][Ring1][=Branch2][C][C][Ring2][Ring1][Ring1]
|
N16CCC%10CC1.c19cc8ccn1.CC(C)C5.C3(=O)C6.C49=O.N8(C)C.N35.C7%10.N47
|
COc1ccc(-c2ccc3[nH]cc(C(=O)N4CCN(C5COC5)CC4)c3c2)cc1
|
COcccc-cccc[nH]ccC=O)NCCNCCOC4))))CC6)))))))c5c9)))))))))cc6
|
[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][NH1][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][Ring1][P][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]
|
c1%10ccc2[nH]cc9c2c1.c17ccc%10cc1.N16CCN8CC1.C18COC1.C69=O.CO7
|
CC(C)(C)[C@@](C)(O)C(=O)NC1CCN(C(=O)C[C@@H]2CCCCC2(F)F)CC1
|
CCC)C)[C@@]C)O)C=O)NCCCNC=O)C[C@@H]CCCCC6F)F)))))))))CC6
|
[C][C][Branch1][C][C][Branch1][C][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C@@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][C][C][Ring1][P]
|
CC(C)(C)[C@@](C)(O)C3=O.[C@@H]16CCCCC1(F)F.C15CCN4CC1.C4(=O)C6.N35
|
O=C([C@H]1C[C@@H]2C[C@@H]2N1C(=O)C=Cc1cnccn1)N1CC[S+]([O-])CC1
|
O=C[C@H]C[C@@H]C[C@@H]3N6C=O)C=Cccnccn6)))))))))))))))NCC[S+][O-])CC6
|
[O][=C][Branch2][Ring1][=Branch2][C@H1][C][C@@H1][C][C@@H1][Ring1][Ring1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][Ring1][=Branch1][N][C][C][S+1][Branch1][C][O-1][C][C][Ring1][#Branch1]
|
[C@H]15C[C@@H]2C[C@@H]2N14.C=6c1cnccn1.N13CC[S+]([O-])CC1.C4(=O)C=6.O=C35
|
C#CC1CC2(C1)CC(C(=O)N[C@H](CNC(=O)COc1cccc(Cl)c1)C1CC1)C2
|
C#CCCCC4)CCC=O)N[C@H]CNC=O)COcccccCl)c6)))))))))))CCC3))))))C4
|
[C][#C][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][C][Ring1][Ring1][C][Ring2][Ring1][=Branch2]
|
C#CC1CC2(CC9C2)C1.c16cccc(Cl)c1.[C@H]7%10C8.C4(=O)C5.C39=O.C1%10CC1.N37.N48.O56
|
CO[C@H]1C[C@H](C(=O)N[C@@H]2CN(C(=O)c3cccc(=O)o3)CC[C@@H]2C(F)(F)F)C1
|
CO[C@H]C[C@H]C=O)N[C@@H]CNC=O)ccccc=O)o6)))))))CC[C@@H]6CF)F)F))))))))))C4
|
[C][O][C@H1][C][C@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][O][Ring1][#Branch1][C][C][C@@H1][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring1][#Branch2]
|
[C@@H]17CN5CC[C@@H]1%10.c18cccc(=O)o1.[C@H]16C[C@H]9C1.C%10(F)(F)F.C49=O.C58=O.CO6.N47
|
CNC(=O)C(C)(C)C(=O)NC[C@]1(C)COCCN(C(=O)[C@H]2CCCOCC2)C1
|
CNC=O)CC)C)C=O)NC[C@]C)COCCNC=O)[C@H]CCCOCC7))))))))C7
|
[C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C@][Branch1][C][C][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C@H1][C][C][C][O][C][C][Ring1][#Branch1][C][Ring1][P]
|
[C@@]18(C)COCCN5C1.C3(=O)C(C)(C)C4=O.[C@H]17CCCOCC1.C57=O.CN3.N46.C68
|
Cc1cc(N)cnc1C(=O)N(C)C[C@@H]1CCCN1C(=O)CCC[N+](=O)[O-]
|
CcccN)cnc6C=O)NC)C[C@@H]CCCN5C=O)CCC[N+]=O)[O-]
|
[C][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][N+1][=Branch1][C][=O][O-1]
|
Cc1cc(N)cnc15.C3(=O)CCC[N+](=O)[O-].[C@@H]16CCCN13.C25=O.N24C.C46
|
Cc1ccc(CNC(=O)[C@@H](CNC(=O)CCCC2CC2)N(C)C)c(O)c1
|
CccccCNC=O)[C@@H]CNC=O)CCCCCC3)))))))))NC)C))))))cO)c6
|
[C][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=Branch1][C][=O][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][Ring1][N][Branch1][C][C][C][C][Branch1][C][O][=C][Ring2][Ring1][=Branch2]
|
Cc1ccc9c(O)c1.C3(=O)[C@H]6C7.C4(=O)CCC8.C18CC1.N6(C)C.C59.N35.N47
|
CO[C@H]1C[C@H](C(=O)NC2CC(CCNC(=O)/C=C/c3ccc(S(C)(=O)=O)o3)C2)C1
|
CO[C@H]C[C@H]C=O)NCCCCCNC=O)/C=C/ccccSC)=O)=O))o5)))))))))))C4))))))C4
|
[C][O][C@H1][C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][O][Ring1][=Branch2][C][Ring2][Ring1][Ring2][C][Ring2][Ring1][O]
|
C=%10c1ccc(S(C)(=O)=O)o1.[C@H]16C[C@H]9C1.C18CC%11C1.C5(=O)C=%10.C49=O.C%11C7.CO6.N48.N57
|
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