SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
C=C=C[C@H](C)C(=O)N1CCC2(CCC2)[C@H](NC(=O)c2cnn(C)c2OC)C1
|
C=C=C[C@H]C)C=O)NCCCCCC4)))[C@H]NC=O)ccnnC)c5OC)))))))))C6
|
[C][=C][=C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][C][C][Ring2][Ring1][Ring2]
|
N13CCC2(CCC2)[C@H]6C1.C=C=C[C@H](C)C3=O.c17cnn(C)c15.C47=O.N46.O5C
|
CC[C@@H]1CN(S(=O)(=O)c2ccc(NC(CF)CF)c(F)c2)CC12OCCO2
|
CC[C@@H]CNS=O)=O)ccccNCCF))CF))))cF)c6)))))))CC5OCCO5
|
[C][C][C@@H1][C][N][Branch2][Ring1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][N][C][Branch1][Ring1][C][F][C][F][C][Branch1][C][F][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][O][C][C][O][Ring1][Branch1]
|
S4(=O)(=O)c1ccc5c(F)c1.[C@@H]16CN4CC12OCCO2.C3(CF)CF.CC6.N35
|
Cc1ccc(C=CC(=O)N2C[C@@H]3C[C@@H]3[C@@H](NC(=O)[C@@H]3C[C@@H]3F)C2)s1
|
CccccC=CC=O)NC[C@@H]C[C@@H]3[C@@H]NC=O)[C@@H]C[C@@H]3F))))))C7))))))))))s5
|
[C][C][=C][C][=C][Branch2][Ring1][#C][C][=C][C][=Branch1][C][=O][N][C][C@@H1][C][C@@H1][Ring1][Ring1][C@@H1][Branch1][N][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][Ring1][Ring1][F][C][Ring1][=C][S][Ring2][Ring1][#Branch1]
|
N14C[C@@H]2C[C@@H]2[C@@H]6C1.Cc1ccc(C=8)s1.C=8C4=O.[C@@H]17C[C@@H]1F.C57=O.N56
|
CC(C)C[C@H](C(N)=O)C(=O)N1CC(C)(OCC(=O)NCC2(O)CCCCC2)C1
|
CCC)C[C@H]CN)=O))C=O)NCCC)OCC=O)NCCO)CCCCC6)))))))))))C4
|
[C][C][Branch1][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][Ring2][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][C]
|
CC(C)C[C@@H](C3=O)C(N)=O.C18(O)CCCCC1.N13CC5(C)C1.C6C4=O.O56.N47.C78
|
C#CC1(N(C)C(=O)[C@@H]2CC[C@H](NC(=O)C(F)(F)COC)C2)CC1
|
C#CCNC)C=O)[C@@H]CC[C@H]NC=O)CF)F)COC))))))C5)))))))CC3
|
[C][#C][C][Branch2][Ring1][P][N][Branch1][C][C][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][O][C][C][Ring1][=C][C][C][Ring2][Ring1][Branch1]
|
C4(=O)C(F)(F)C5.[C@@H]18CC[C@H]7C1.C#CC16CC1.N36C.C38=O.N47.O5C
|
C[C@@H](CC(=O)NCCC1=CCN(C(=O)[C@H]2CC23CCC3)CC1)N1CCCC1=O
|
C[C@@H]CC=O)NCCC=CCNC=O)[C@H]CC3CCC4)))))))CC6)))))))))))NCCCC5=O
|
[C][C@@H1][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][C][C][=C][C][N][Branch1][#C][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][C][Ring1][Ring2][C][C][Ring1][=C][N][C][C][C][C][Ring1][Branch1][=O]
|
C6CC1=CCN5CC1.C[C@H]8CC4=O.[C@H]17CC12CCC2.N18CCCC1=O.C57=O.N46
|
Cn1cc(I)c(=NC(=O)N[C@H](c2ccccc2)c2ccccn2)[nH]1
|
CnccI)c=NC=O)N[C@H]cccccc6))))))cccccn6))))))))))[nH]5
|
[C][N][C][=C][Branch1][C][I][C][=Branch2][Ring1][#Branch2][=N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1][NH1][Ring2][Ring1][#Branch1]
|
Cn1cc(I)c(=NC3=O)[nH]1.c16ccccc1.c15ccccn1.[C@H]456.N34
|
CC[C@H](CO)C(=O)NC1(CO)CN(C(=O)c2c(N)cc(F)cc2Cl)C1
|
CC[C@H]CO))C=O)NCCO))CNC=O)ccN)ccF)cc6Cl))))))))C4
|
[C][C][C@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][N][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][Cl][C][Ring1][P]
|
c16c(N)cc(F)cc1Cl.CC[C@H](CO)C3=O.C157CN4C1.C46=O.N35.C7O
|
CC[C@@H](CO)NC(=O)[C@H]1CCCN(Cc2cn(COC)nn2)CC1
|
CC[C@@H]CO))NC=O)[C@H]CCCNCccnCOC)))nn5))))))CC7
|
[C][C][C@@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][=C][C][C][=C][N][Branch1][Ring2][C][O][C][N][=N][Ring1][Branch2][C][C][Ring1][S]
|
[C@H]16CCCN5CC1.c18cn7nn1.CC[C@H]4CO.C36=O.C7OC.N34.C58
|
COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H]2[C@H](C1)[C@H]2NC(=O)[C@H](C)[C@H]1CCC(=O)N1
|
COC[C@H]C)NC=O)NC=O)CNC[C@@H][C@H]C5)[C@H]3NC=O)[C@H]C)[C@H]CCC=O)N5
|
[C][O][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N][C][C@@H1][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1]
|
N19C[C@@H]2[C@@H]%10[C@@H]2C1.[C@H]1%11CCC(=O)N1.C6(=O)[C@@H]%11C.C7[C@@H]8C.C5(=O)C9.C34=O.CO7.N38.N45.N6%10
|
Cc1ccsc1C(=O)N(C)C[C@@]1(O)CCCN(C(=O)[C@H](F)C2(O)CCCC2)C1
|
Ccccsc5C=O)NC)C[C@@]O)CCCNC=O)[C@H]F)CO)CCCC5)))))))C6
|
[C][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C@@][Branch1][C][O][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][C][Ring1][P]
|
[C@]17(O)CCCN4C1.Cc1ccsc16.C18(O)CCCC1.C4(=O)[C@@H]8F.C36=O.N35C.C57
|
Cc1cc(COCC(=O)N[C@H]2CCN(C(=O)[C@@H]3COC(=O)N3C)C23CCC3)no1
|
CcccCOCC=O)N[C@H]CCNC=O)[C@@H]COC=O)N5C)))))))C5CCC4)))))))))))))no5
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][O][C][=Branch1][C][=O][N][Ring1][=Branch1][C][C][Ring1][=C][C][C][C][Ring1][Ring2][=N][O][Ring2][Ring1][N]
|
[C@H]18CCN5C12CCC2.[C@@H]19COC(=O)N1C.Cc1cc%10no1.C7C4=O.C59=O.C6%10.O67.N48
|
CCCC(=O)N1CCN(C(=O)c2cccc(=S)n2O)C[C@@H]1c1cccnc1
|
CCCC=O)NCCNC=O)ccccc=S)n6O))))))))C[C@@H]6ccccnc6
|
[C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=S][N][Ring1][#Branch1][O][C][C@@H1][Ring1][S][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
N13CCN4C[C@@H]16.c15cccc(=S)n1O.c16cccnc1.CCCC3=O.C45=O
|
C#CCCN=C(NC[C@H]1CCC12CCOCC2)N[C@@H](C#C)CC
|
C#CCCN=CNC[C@H]CCC4CCOCC6)))))))))))N[C@@H]C#C))CC
|
[C][#C][C][C][N][=C][Branch1][S][N][C][C@H1][C][C][C][Ring1][Ring2][C][C][O][C][C][Ring1][=Branch1][N][C@@H1][Branch1][Ring1][C][#C][C][C]
|
C#CCCN=C(N3)N4.[C@H]15CCC12CCOCC2.[C@H]4(C#C)CC.C35
|
COCC(F)(F)C(=O)N1CCC[C@H](CCNC(=O)c2nc(C)n3c2CCCC3)C1
|
COCCF)F)C=O)NCCC[C@H]CCNC=O)cncC)nc5CCCC6)))))))))))))C6
|
[C][O][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][N][=C][Branch1][C][C][N][C][=Ring1][=Branch1][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Branch1]
|
c18nc(C)n2c1CCCC2.C6C(F)(F)C4=O.N14CCC[C@H]9C1.C9C7.C58=O.CO6.N57
|
CCS[C@H](C(=O)N(C)CCCCCNC(=O)C(F)(F)C1(O)CCC1)C(C)C
|
CCS[C@H]C=O)NC)CCCCCNC=O)CF)F)CO)CCC4))))))))))))))CC)C
|
[C][C][S][C@H1][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][Branch1][C][C][C]
|
[C@@H]7(C2=O)C(C)C.C4CCCC5.C3(=O)C8(F)F.C18(O)CCC1.N24C.CC6.S67.N35
|
CO[C@H](C(=O)N1CC[C@@H]1CNC(=O)c1cnc2[nH]c(C)nc2c1)C1CC1
|
CO[C@H]C=O)NCC[C@@H]4CNC=O)ccnc[nH]cC)nc5c9)))))))))))))))))CCC3
|
[C][O][C@H1][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@@H1][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][N][=C][NH1][C][Branch1][C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1]
|
c17cnc2[nH]c(C)nc2c1.[C@H]59C3=O.N13CC[C@@H]18.C47=O.C19CC1.CO5.C68.N46
|
CS[C@H](C(=O)N1CCN(C(=O)C=C2CCOCC2)[C@H]2CCC[C@H]21)C(C)C
|
CS[C@H]C=O)NCCNC=O)C=CCCOCC6))))))))[C@H]CCC[C@H]59))))))))))CC)C
|
[C][S][C@H1][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][C][O][C][C][Ring1][=Branch1][C@H1][C][C][C][C@H1][Ring1][Branch1][Ring2][Ring1][C][C][Branch1][C][C][C]
|
N13CCN4[C@H]2CCC[C@H]21.[C@@H]5(C3=O)C(C)C.C1=6CCOCC1.C4(=O)C=6.CS5
|
C=CCn1cccc1C(=O)N[C@]1(CC=C)CCN(C(=O)C(C)(C)C(=C)C)C1
|
C=CCncccc5C=O)N[C@]CC=C)))CCNC=O)CC)C)C=C)C))))C5
|
[C][=C][C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@][Branch1][Ring2][C][C][=C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=C][C][C][Ring1][S]
|
C3(=O)C(C)(C)C(=C)C.[C@@]147CCN3C1.n16cccc15.C=CC6.C25=O.C7C=C.N24
|
CC(C)N(C)CC(=O)N1CCCC[C@@H]1CCCNC(=O)c1ccnc(C(N)=O)c1
|
CCC)NC)CC=O)NCCCC[C@@H]6CCCNC=O)cccncCN)=O))c6
|
[C][C][Branch1][C][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=Branch2]
|
N12CCCC[C@@H]19.c18ccnc7c1.C5C2=O.C9CC6.CC4C.N45C.C38=O.C7(N)=O.N36
|
CC1(CC(=O)N(CC2CC2)[C@H]2CCN(C(=O)C34CC(C#N)(C3)C4)C2)CCCCC1
|
CCCC=O)NCCCC3))))[C@H]CCNC=O)CCCC#N))C4)C4)))))C5))))))))CCCCC6
|
[C][C][Branch2][Ring2][N][C][C][=Branch1][C][=O][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][C][#N][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][#Branch1][C][Ring1][=C][C][C][C][C][C][Ring2][Ring1][N]
|
CC1%10CCCCC1.C129CC(C#N)(C1)C2.[C@H]18CCN6C1.C%10C5=O.N578.C1%11CC1.C69=O.C7%11
|
CCN(CC(C)(C)C)C(=O)C[C@H]1CCCN(C(=O)C=CC2(C)COC2)C1
|
CCNCCC)C)C)))C=O)C[C@H]CCCNC=O)C=CCC)COC4)))))))C6
|
[C][C][N][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][C][O][C][Ring1][Branch1][C][Ring1][#C]
|
[C@H]18CCCN4C1.C=7C1(C)COC1.C6C(C)(C)C.C3(=O)C8.C4(=O)C=7.N356.CC5
|
Cc1ccoc1C(=O)N[C@@H]1CN(C(=O)c2n[nH]cc2Br)[C@@H]2C[C@H]21
|
Ccccoc5C=O)N[C@@H]CNC=O)cn[nH]cc5Br)))))))[C@@H]C[C@H]36
|
[C][C][C][=C][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=N][C][=Branch1][C][=O][C][=N][NH1][C][=C][Ring1][Branch1][Br][C@@H1][C][C@H1][Ring1][Ring1][Ring1][=C]
|
[C@@H]15CN4[C@@H]2C[C@@H]12.Cc1ccoc16.c17n[nH]cc1Br.C36=O.C47=O.N35
|
COc1ccc(COCC(=O)N[C@@H](C)CNC(=O)CC2CC3(CCC3)C2)cn1
|
COccccCOCC=O)N[C@@H]C)CNC=O)CCCCCCC4)))C4))))))))))))))cn6
|
[C][O][C][=C][C][=C][Branch2][Ring1][P][C][O][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][C][=N][Ring2][Ring1][#Branch2]
|
c18ccc%12cn1.C1%11CC2(CCC2)C1.C7C4=O.[C@H]9(C)C%10.C5(=O)C%11.CO8.C6%12.O67.N49.N5%10
|
CCO[C@@H]1COCC[C@@H]1CC(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)c1ccc(C(F)F)s1)C2
|
CCO[C@@H]COCC[C@@H]6CC=O)N[C@@H][C@H]C[C@@H]4NC=O)ccccCF)F))s5))))))C5
|
[C][C][O][C@@H1][C][O][C][C][C@@H1][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C@@H1][C@H1][C][C@@H1][Ring1][Ring2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][F][F][S][Ring1][Branch2][C][Ring1][#C]
|
[C@@H]16COCC[C@@H]1%10.[C@@H]17[C@H]2C[C@@H]1N4C2.c18ccc9s1.C%10C3=O.C48=O.C9(F)F.CC5.O56.N37
|
C#Cc1cn(C)nc1C(=O)N(C)[C@@H]1CN(C(=O)C(C)(C)NS(C)(=O)=O)C[C@H]1F
|
C#CccnC)nc5C=O)NC)[C@@H]CNC=O)CC)C)NSC)=O)=O)))))C[C@H]5F
|
[C][#C][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C@H1][Ring1][#C][F]
|
C#Cc1cn(C)nc17.[C@@H]16CN3C[C@H]1F.C3(=O)C4(C)C.S5(C)(=O)=O.C27=O.N26C.N45
|
C[C@H](NC(=O)[C@]1(C)CCCN(Cc2ccc(C3CCCC3)s2)C1)C1CCCCC1
|
C[C@H]NC=O)[C@]C)CCCNCccccCCCCC5)))))s5))))))C6))))))))CCCCCC6
|
[C][C@H1][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][S][Ring1][#Branch2][C][Ring2][Ring1][C][C][C][C][C][C][C][Ring1][=Branch1]
|
[C@@]17(C)CCCN6C1.c18ccc%10s1.C19CCCCC1.C1%10CCCC1.C[C@H]59.C47=O.N45.C68
|
CCCn1cc(C(=O)NCCN(C)C(=O)c2ccc(C(C)C)cn2)c(C)n1
|
CCCnccC=O)NCCNC)C=O)ccccCC)C))cn6))))))))))))cC)n5
|
[C][C][C][N][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=N][Ring1][=Branch2][C][Branch1][C][C][=N][Ring2][Ring1][Branch2]
|
n19cc8c(C)n1.c17ccc%10cn1.CCC9.C38=O.C5C6.N46C.C47=O.C%10(C)C.N35
|
C#CCNC(=O)[C@H]1C[C@H]1C(=O)N1CC[C@@](C)(CCNC(=O)C=CC2CCC2)C1
|
C#CCNC=O)[C@H]C[C@H]3C=O)NCC[C@@]C)CCNC=O)C=CCCCC4))))))))))C5
|
[C][#C][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C@@][Branch1][C][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][C][C][C][C][Ring1][Ring2][C][Ring1][P]
|
N14CC[C@]%11(C)C1.C=%10C1CCC1.[C@H]18C[C@H]19.C5(=O)C=%10.C#CC6.C38=O.C49=O.C%11C7.N36.N57
|
CC=C(CC)C(=O)N[C@H]1CC[C@@H](O)CN(C(=O)[C@@H](CC)c2c(C)noc2C)C1
|
CC=CCC))C=O)N[C@H]CC[C@@H]O)CNC=O)[C@@H]CC))ccC)noc5C))))))))C7
|
[C][C][=C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][C][O][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][C][Ring2][Ring1][Ring2]
|
[C@H]15CC[C@@H](O)CN4C1.c17c(C)noc1C.C=6(CC)C3=O.C4(=O)[C@H]7CC.CC=6.N35
|
CC(C)=CCC(=O)NC1C[C@@H]2CN(C(=O)CCc3ccc(F)nc3)C[C@H]2C1
|
CCC)=CCC=O)NCC[C@@H]CNC=O)CCccccF)nc6)))))))))C[C@H]5C8
|
[C][C][Branch1][C][C][=C][C][C][=Branch1][C][=O][N][C][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][F][N][=C][Ring1][#Branch1][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring1]
|
C16C[C@@H]2CN5C[C@H]2C1.c18ccc(F)nc1.C=7CC4=O.C5(=O)CC8.CC=7C.N46
|
CCCCc1nc(C)c(C(=O)N(C)CC(C)(C)NC(=O)c2ccnc(CC)c2)s1
|
CCCCcncC)cC=O)NC)CCC)C)NC=O)cccncCC))c6))))))))))))s5
|
[C][C][C][C][C][=N][C][Branch1][C][C][=C][Branch2][Ring2][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][=N][C][Branch1][Ring1][C][C][=C][Ring1][Branch2][S][Ring2][Ring1][=Branch2]
|
c19nc(C)c7s1.c18ccnc%10c1.C5C6(C)C.CCCC9.C37=O.N35C.C48=O.N46.C%10C
|
C#CCCC1CCN(C(=O)C[C@@H]2C[C@@H](O)CN2C(=O)c2ccc(C)cc2F)CC1
|
C#CCCCCCNC=O)C[C@@H]C[C@@H]O)CN5C=O)ccccC)cc6F)))))))))))))))CC6
|
[C][#C][C][C][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][C@@H1][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F][C][C][Ring2][Ring1][=Branch2]
|
c15ccc(C)cc1F.C17CCN3CC1.[C@@H]16C[C@@H](O)CN14.C#CCC7.C3(=O)C6.C45=O
|
CC1(C)CN(C(=O)NCCCl)CC[C@@H]1NC(=O)c1cc(F)ccc1O
|
CCC)CNC=O)NCCCl)))))CC[C@@H]6NC=O)cccF)ccc6O
|
[C][C][Branch1][C][C][C][N][Branch1][=Branch2][C][=Branch1][C][=O][N][C][C][Cl][C][C][C@@H1][Ring1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O]
|
CC1(C)CN2CC[C@@H]16.c17cc(F)ccc1O.C23=O.C5CCl.C47=O.N35.N46
|
C=C[C@@]1(C(=O)NCC2(c3ccc(F)cc3Cl)CCCC2)CCNC1
|
C=C[C@@]C=O)NCCccccF)cc6Cl)))))))CCCC5))))))))CCNC5
|
[C][=C][C@@][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][C][C][C][C][Ring1][=N][C][C][N][C][Ring2][Ring1][=Branch1]
|
c18ccc(F)cc1Cl.C=C[C@@]16CCNC1.C178CCCC1.C46=O.N45.C57
|
O=C(NCC[C@@H]1CCCN(C(=O)[C@H](O)C2CCCC2)CC1)C1C2(CC2)C12CC2
|
O=CNCC[C@@H]CCCNC=O)[C@H]O)CCCCC5)))))))CC7))))))))))CCCC3))C3CC3
|
[O][=C][Branch2][Ring1][=C][N][C][C][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S][C][C][Branch1][Branch1][C][C][Ring1][Ring1][C][Ring1][Branch1][C][C][Ring1][Ring1]
|
[C@@H]17CCCN4CC1.C16C2(CC2)C12CC2.C4(=O)[C@@H]8O.C18CCCC1.O=C36.C5C7.N35
|
CSc1nc(Cl)cc(=NC[C@H](O)CNC(=O)c2cc3ccccc3[nH]2)[nH]1
|
CScncCl)cc=NC[C@H]O)CNC=O)cccccccc6[nH]9)))))))))))))))[nH]6
|
[C][S][C][=N][C][Branch1][C][Cl][=C][C][=Branch2][Ring1][#Branch2][=N][C][C@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][NH1][Ring2][Ring1][Branch2]
|
c17nc(Cl)cc(=NC[C@H](O)C5)[nH]1.c16cc2ccccc2[nH]1.C46=O.CS7.N45
|
CCCC[C@H](CNC(=O)c1ccc([N+](=O)[O-])c(O)c1)NC(=O)[C@@H]1NC(=O)C[C@@H]1C
|
CCCC[C@H]CNC=O)cccc[N+]=O)[O-]))cO)c6)))))))))NC=O)[C@@H]NC=O)C[C@@H]5C
|
[C][C][C][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][O][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C@@H1][N][C][=Branch1][C][=O][C][C@@H1][Ring1][=Branch1][C]
|
c17ccc([N+](=O)[O-])c(O)c1.CCCC[C@@H]4C5.[C@@H]16NC(=O)C[C@@H]1C.C27=O.C36=O.N25.N34
|
Cc1c(Cl)ccnc1CNC(=O)[C@@H]1C[C@H]1C(F)(F)F
|
CccCl)ccnc6CNC=O)[C@@H]C[C@H]3CF)F)F
|
[C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
Cc1c(Cl)ccnc15.[C@@H]14C[C@H]16.C6(F)(F)F.C24=O.C35.N23
|
CC(C)C1(C(=O)NC[C@@H]2[C@H](C)CCN2C(=O)c2cc(O)ccc2Br)CCC1
|
CCC)CC=O)NC[C@@H][C@H]C)CCN5C=O)cccO)ccc6Br))))))))))))))))CCC4
|
[C][C][Branch1][C][C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C@@H1][C@H1][Branch1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Br][C][C][C][Ring2][Ring1][Branch2]
|
c17cc(O)ccc1Br.[C@@H]18[C@H](C)CCN14.C169CCC1.CC9C.C36=O.C47=O.N35.C58
|
C[C@@H]1CN(C(=O)CN2CCCCC2=O)CCN1C(=O)[C@H]1CC(F)(F)C1(F)F
|
C[C@@H]CNC=O)CNCCCCC6=O)))))))))CCN6C=O)[C@H]CCF)F)C4F)F
|
[C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][N][Ring1][S][C][=Branch1][C][=O][C@H1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][=Branch1][Branch1][C][F][F]
|
C[C@@H]1CN3CCN14.[C@H]15CC(F)(F)C1(F)F.N16CCCCC1=O.C3(=O)C6.C45=O
|
CCS[C@H](C(=O)NCC(C)(C)c1ccc(Cl)cn1)C(C)C
|
CCS[C@H]C=O)NCCC)C)ccccCl)cn6))))))))))CC)C
|
[C][C][S][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Branch1][C][C][C]
|
[C@@H]5(C2=O)C(C)C.c16ccc(Cl)cn1.C3C6(C)C.CC4.S45.N23
|
C[C@@H](O)C(=O)N1CCO[C@]2(CC[C@@H](NC(=O)[C@@H]3CCN(C4COC4)C3)CC2)C1
|
C[C@@H]O)C=O)NCCO[C@]CC[C@@H]NC=O)[C@@H]CCNCCOC4))))C5)))))))CC6)))))C6
|
[C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][S][C][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][Ring1][=Branch2][C][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch1]
|
N15CCO[C@]2(CC[C@@H]7CC2)C1.[C@@H]19CCN8C1.C[C@@H](O)C5=O.C18COC1.C69=O.N67
|
C[C@@H]1CC[C@](C)(C(=O)N2CCC(C[C@@H](C)NC(=O)CSc3nncs3)CC2)C1
|
C[C@@H]CC[C@]C)C=O)NCCCC[C@@H]C)NC=O)CScnncs5)))))))))))CC6)))))))C5
|
[C][C@@H1][C][C][C@][Branch1][C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Ring2][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][S][Ring1][Branch1][C][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O]
|
C[C@@H]1CC[C@@]8(C)C1.N14CCC9CC1.c1%10nncs1.C9[C@H]6C.C5(=O)C7.C48=O.N56.S7%10
|
Cc1ccccc1CC(=O)NCCC1CC(C(=O)NCCC2CC=CC2)C1
|
Ccccccc6CC=O)NCCCCCC=O)NCCCCC=CC5)))))))))C4
|
[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][=C][C][Ring1][Branch1][C][Ring1][=C]
|
Cc1ccccc1%10.C18CC7C1.C19CC=CC1.C%10C3=O.C5C8.C47=O.C6C9.N35.N46
|
CC(C)Nc1ccc(C(=O)N2C[C@H](NC(=O)C3=COCCO3)CC(F)(F)C2)cn1
|
CCC)NccccC=O)NC[C@H]NC=O)C=COCCO6))))))))CCF)F)C6)))))))cn6
|
[C][C][Branch1][C][C][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][O][C][C][O][Ring1][=Branch1][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][P][C][=N][Ring2][Ring1][=Branch2]
|
N14C[C@H]8CC(F)(F)C1.C5(=O)C1=COCCO1.c17ccc9cn1.CC6C.C49=O.N67.N58
|
CCOc1ccccc1CCC(=O)N1CCC[C@]2(CNC(=O)c3cnns3)C[C@@H]12
|
CCOcccccc6CCC=O)NCCC[C@]CNC=O)ccnns5))))))))C[C@@H]73
|
[C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][N][=N][S][Ring1][Branch1][C][C@@H1][Ring1][S][Ring1][N]
|
N14CCC[C@]2%10C[C@@H]12.c17ccccc1%11.C%11CC4=O.c19cnns1.C59=O.CC6.O67.C8%10.N58
|
Cc1nc(C(=O)NC2CC3(CCN(C(=O)C(=O)NC(C)C)C3)C2)[nH]c1C
|
CcncC=O)NCCCCCNC=O)C=O)NCC)C)))))C5))))C4))))))[nH]c5C
|
[C][C][N][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#Branch1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][Ring1][=N][C][Ring1][S][NH1][C][=Ring2][Ring1][Branch2][C]
|
C18CC2(CCN5C2)C1.Cc1nc9[nH]c1C.C5(=O)C6=O.C49=O.C7(C)C.N48.N67
|
COCCOCCC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)Cc1cc(F)ccc1C)C2
|
COCCOCCC=O)N[C@@H]C[C@H]CC[C@H]6NC=O)CcccF)ccc6C)))))))))C6
|
[C][O][C][C][O][C][C][C][=Branch1][C][=O][N][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][Ring1][P]
|
[C@@H]18C[C@H]2CC[C@H]1N4C2.c19cc(F)ccc1C.C7CC3=O.C4(=O)C9.C5C6.CO5.O67.N38
|
COCC(=O)N1CCN2C(=O)[C@H](NC(=O)CC(C)(C)C(F)F)C[C@H]2C1
|
COCC=O)NCCNC=O)[C@H]NC=O)CCC)C)CF)F))))))C[C@H]5C9
|
[C][O][C][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][F][F][C][C@H1][Ring1][S][C][Ring2][Ring1][Ring2]
|
N13CCN2C(=O)[C@H]6C[C@H]2C1.C4(=O)CC(C)(C)C(F)F.C5C3=O.CO5.N46
|
C/C(=C\c1cncn1C)C(=O)N[C@@H](C)c1c(F)cc(F)cc1F
|
C/C=C\ccncn5C)))))))C=O)N[C@@H]C)ccF)ccF)cc6F
|
[C][/C][=Branch1][#Branch2][=C][\C][=C][N][=C][N][Ring1][Branch1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][F]
|
c15c(F)cc(F)cc1F.C=4c1cncn1C.CC=4C2=O.[C@@H]35C.N23
|
CCCN(CCNC(=O)C1=C(C)N(C)c2ncnn2C1)C(=O)c1cc(=O)cc[nH]1
|
CCCNCCNC=O)C=CC)NC)cncnn5C9)))))))))))))C=O)ccc=O)cc[nH]6
|
[C][C][C][N][Branch2][Ring1][O][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][Branch1][C][C][C][=N][C][=N][N][Ring1][Branch1][C][Ring1][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][=C][NH1][Ring1][#Branch1]
|
C3(=O)C1=C(C)N(C)c2ncnn2C1.c18cc(=O)cc[nH]1.CCC5.N456.C6C7.C48=O.N37
|
O=C1C[C@@H](N2CCC[C@H]2CO)C(=O)N1CCc1ccccc1F
|
O=CC[C@@H]NCCC[C@H]5CO)))))))C=O)N5CCcccccc6F
|
[O][=C][C][C@@H1][Branch1][#Branch2][N][C][C][C][C@H1][Ring1][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][=N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F]
|
O=C1C[C@@H]3C(=O)N14.c16ccccc1F.N13CCC[C@H]15.C4C6.C5O
|
C[C@H](CN(C)C(=O)Cc1cncnc1O)NC(=O)c1ccc2ncccc2c1Cl
|
C[C@H]CNC)C=O)Cccncnc6O)))))))))))NC=O)ccccncccc6c%10Cl
|
[C][C@H1][Branch2][Ring1][Ring2][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][=C][N][=C][N][=C][Ring1][=Branch1][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][Cl]
|
c17ccc2ncccc2c1Cl.c18cncnc1O.C[C@@H]5C6.C3(=O)C8.N36C.C47=O.N45
|
CCCN(C)CCC(=O)N[C@@H]1CN(C(=O)c2cnc(Cl)s2)[C@@H]2C[C@H]21
|
CCCNC)CCC=O)N[C@@H]CNC=O)ccncCl)s5))))))[C@@H]C[C@H]36
|
[C][C][C][N][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][Cl][S][Ring1][=Branch1][C@@H1][C][C@H1][Ring1][Ring1][Ring1][=C]
|
[C@@H]17CN4[C@@H]2C[C@@H]12.c18cnc(Cl)s1.C6CC3=O.CCC5.N56C.C48=O.N37
|
CCN1CCN(C(=O)[C@H](NC(=O)c2ccnc(CO)c2)[C@@H]2CC=CCC2)CC1=O
|
CCNCCNC=O)[C@H]NC=O)cccncCO))c6))))))))[C@@H]CC=CCC6))))))))CC6=O
|
[C][C][N][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch2][=O]
|
N17CCN3CC1=O.c16ccnc8c1.[C@@H]19CC=CCC1.C3(=O)[C@H]59.C46=O.CC7.N45.C8O
|
Cc1ccc(C)c(CC(=O)N2C[C@@H]3CCN(C(=O)c4c(Cl)ccnc4Cl)[C@@H]3C2)c1
|
CccccC)cCC=O)NC[C@@H]CCNC=O)ccCl)ccnc6Cl))))))))[C@@H]5C8))))))))))c6
|
[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][Branch1][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][Cl][C@@H1][Ring1][#C][C][Ring2][Ring1][C][=C][Ring2][Ring1][N]
|
N15C[C@@H]2CCN6[C@@H]2C1.Cc1ccc(C)c8c1.c17c(Cl)ccnc1Cl.C8C5=O.C67=O
|
CC(C)[C@@]1(C)C[C@H]1C(=O)NCCN(C(=O)CSC1CC1)C1CC1
|
CCC)[C@@]C)C[C@H]3C=O)NCCNC=O)CSCCC3))))))CCC3
|
[C][C][Branch1][C][C][C@@][Branch1][C][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C][S][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1]
|
[C@]19(C)C[C@H]18.C3(=O)C6.CC9C.C28=O.C4C5.N357.C1%10CC1.C17CC1.N24.S6%10
|
Cc1ccc(Br)c(C(=O)N2CC[C@](C)(NC(=O)[C@H]3C[C@H](F)C3)C2)c1F
|
CccccBr)cC=O)NCC[C@]C)NC=O)[C@H]C[C@H]F)C4))))))C5))))))c6F
|
[C][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][Branch1][#C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][C][F][C][Ring1][Branch1][C][Ring1][=C][=C][Ring2][Ring1][#Branch1][F]
|
Cc1ccc(Br)c8c1F.N14CC[C@@]6(C)C1.[C@H]17C[C@H](F)C1.C48=O.C57=O.N56
|
CC(C)(C(=O)NC1CN(C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)C1)[C@H]1CCOC1
|
CCC)C=O)NCCNC=O)[C@H]CCcccccF)c6))))))=NO5))))))C4))))))[C@H]CCOC5
|
[C][C][Branch1][C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C@H1][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=N][O][Ring1][N][C][Ring2][Ring1][C][C@H1][C][C][O][C][Ring1][Branch1]
|
[C@H]17CC(c2cccc(F)c2)=NO1.CC8(C)C4=O.C16CN5C1.[C@H]18CCOC1.C57=O.N46
|
CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](C(=O)Nc3ccc(CO)c(C)c3)[C@H](O)C2)CC1
|
CO[C@H]CC[C@H]C=O)NCC[C@@H]C=O)NccccCO))cC)c6))))))))[C@H]O)C6)))))))CC6
|
[C][O][C@H1][C][C][C@H1][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][C][C][=C][Ring1][=Branch2][C@H1][Branch1][C][O][C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][O]
|
N14CC[C@@H]9[C@H](O)C1.c17ccc%10c(C)c1.[C@H]16CC[C@H]8CC1.C48=O.C59=O.CO6.N57.C%10O
|
CC(C)(C)C[C@@H](O)CC(=O)N1CC(C2CN(C(=O)[C@@H]3OCCOC34CCC4)C2)C1
|
CCC)C)C[C@@H]O)CC=O)NCCCCNC=O)[C@@H]OCCOC6CCC4))))))))))C4))))C4
|
[C][C][Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][O][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@@H1][O][C][C][O][C][Ring1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#C][C][Ring2][Ring1][Ring1]
|
CC(C)(C)C[C@@H](O)CC5=O.N15CC(C2CN6C2)C1.[C@@H]17OCCOC12CCC2.C67=O
|
Cn1ccnc1CCC(=O)NCC1CN(C(=O)[C@@H](O)c2ccnn2C)C1
|
Cnccnc5CCC=O)NCCCNC=O)[C@@H]O)cccnn5C))))))))C4
|
[C][N][C][=C][N][=C][Ring1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][=C]
|
Cn1ccnc16.c17ccnn1C.C6CC3=O.C18CN4C1.C4(=O)[C@H]7O.N35.C58
|
CCN1CCC[C@@H]1C(=O)NCC1(CN(C)C(=O)C=NOC)CC1
|
CCNCCC[C@@H]5C=O)NCCCNC)C=O)C=NOC)))))))CC3
|
[C][C][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][O][C][C][C][Ring1][N]
|
N14CCC[C@@H]17.C3(=O)C=NOC.C189CC1.C27=O.N36C.CC4.N25.C58.C69
|
COC(=O)C(C)(C)CCC(=O)N1CCN(C(=O)C(=O)N=S(C)(C)=O)C2(CCC2)C1
|
COC=O)CC)C)CCC=O)NCCNC=O)C=O)N=SC)C)=O)))))CCCC4)))C6
|
[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][=S][Branch1][C][C][Branch1][C][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring2][Ring1][C]
|
C3(=O)C(C)(C)CCC4=O.N14CCN5C2(CCC2)C1.C5(=O)C(=O)N=S(C)(C)=O.CO3
|
O=C(N[C@@H]1CN(C(=O)[C@@H](O)C(F)(F)F)C[C@@H]1O)c1c(Cl)cncc1Cl
|
O=CN[C@@H]CNC=O)[C@@H]O)CF)F)F))))C[C@@H]5O)))))))ccCl)cncc6Cl
|
[O][=C][Branch2][Ring1][N][N][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][C@@H1][Ring1][=N][O][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl]
|
C3(=O)[C@@H](O)C(F)(F)F.c15c(Cl)cncc1Cl.[C@@H]14CN3C[C@@H]1O.O=C25.N24
|
CC[C@](C)(CO)NC(=O)[C@H]1CCCCN1C(=O)CCCCNC(C)=O
|
CC[C@]C)CO))NC=O)[C@H]CCCCN6C=O)CCCCNCC)=O
|
[C][C][C@][Branch1][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][Branch1][C][C][=O]
|
[C@H]17CCCCN13.C3(=O)CCCC6.CC[C@]5(C)CO.C27=O.C4(C)=O.N25.N46
|
CN(CCNC(=O)c1c[nH]c2c(Cl)cccc2c1=O)C(=O)c1csc2nccn12
|
CNCCNC=O)cc[nH]ccCl)cccc6c%10=O)))))))))))))))C=O)ccscnccn85
|
[C][N][Branch2][Ring1][#Branch2][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][=Branch1][C][=O][C][=C][S][C][=N][C][=C][N][Ring1][Branch2][Ring1][Branch1]
|
c18c[nH]c2c(Cl)cccc2c1=O.c17csc2nccn12.CN45.C5C6.C38=O.C47=O.N36
|
O=S(=O)(NC1CCC(C2CCC2)CC1)c1cccnc1N1CCC2(C1)OCCO2
|
O=S=O)NCCCCCCCC4))))CC6)))))))ccccnc6NCCCC5)OCCO5
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][C][N][C][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][O][C][C][O][Ring1][=Branch1]
|
O=S3(=O)c1cccnc14.C15CCC(C2CCC2)CC1.N14CCC2(C1)OCCO2.N35
|
COc1cc(NC(=O)c2cnc3ncc(-c4ccccc4[S@+](C)[O-])cn23)[nH]n1
|
COcccNC=O)ccncncc-cccccc6[S@+]C)[O-]))))))))cn96)))))))))))[nH]n5
|
[C][O][C][C][=C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][S@+1][Branch1][C][C][O-1][=C][N][Ring2][Ring1][C][Ring1][#C][NH1][N][=Ring2][Ring1][#Branch2]
|
c18cnc2ncc9cn12.c19ccccc1[S@+](C)[O-].c16cc7[nH]n1.C58=O.CO6.N57
|
Cc1csc2nc(CC(=O)N[C@H]3C[C@@H]4C[C@H]3[C@H](NC(=O)[C@H]3C[C@@H](O)C3)C4)cn12
|
CccscncCC=O)N[C@H]C[C@@H]C[C@H]5[C@H]NC=O)[C@H]C[C@@H]O)C4))))))C5))))))))))cn85
|
[C][C][=C][S][C][=N][C][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C@H1][C][C@@H1][C][C@H1][Ring1][Branch1][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][O][C][Ring1][Branch1][C][Ring1][=N][=C][N][Ring2][Ring1][O][Ring2][Ring1][Branch2]
|
Cc1csc2nc%10cn12.[C@H]17C[C@@H]2C[C@H]1[C@H]8C2.[C@H]19C[C@@H](O)C1.C%10C5=O.C69=O.N57.N68
|
CC[C@@H]1CN(C(=O)C2(C3CC3)CC2)CCN1C(=O)[C@H]1Cc2cc(OC)ccc2O1
|
CC[C@@H]CNC=O)CCCC3)))CC3))))CCN6C=O)[C@H]CcccOC))ccc6O9
|
[C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=Branch1][C][C][N][Ring1][=C][C][=Branch1][C][=O][C@H1][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][Ring1][O]
|
[C@H]17Cc2cc6ccc2O1.[C@@H]19CN4CCN15.C18(C2CC2)CC1.C48=O.C57=O.CC9.O6C
|
COC(=O)[C@H](C)CCNC(=O)[C@H](NC(=O)COC1CCCC1)c1cccnc1
|
COC=O)[C@H]C)CCNC=O)[C@H]NC=O)COCCCCC5)))))))))ccccnc6
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][O][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1]
|
C2(=O)[C@H](C)CC7.c19cccnc1.C3(=O)[C@H]89.C16CCCC1.C4(=O)C5.CO2.N37.N48.O56
|
Cc1cc(N)cnc1C(=O)NC[C@H]1C[C@H](NC(=O)c2cc(C3CCC3)no2)C1
|
CcccN)cnc6C=O)NC[C@H]C[C@H]NC=O)cccCCCC4))))no5)))))))C4
|
[C][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][=N][O][Ring1][=Branch2][C][Ring1][S]
|
Cc1cc(N)cnc18.c19cc%11no1.[C@H]1%10C[C@H]7C1.C1%11CCC1.C48=O.C59=O.N46.C6%10.N57
|
O=C(NC[C@@H]1C[C@H]2CC[C@H]1N2C(=O)c1ccoc1Cl)C1C[C@H]2CC[C@@H](C1)S2
|
O=CNC[C@@H]C[C@H]CC[C@H]6N5C=O)cccoc5Cl))))))))))))))))CC[C@H]CC[C@@H]C7)S5
|
[O][=C][Branch2][Ring1][#Branch2][N][C][C@@H1][C][C@H1][C][C][C@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][Cl][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][#Branch1][S][Ring1][=Branch1]
|
[C@@H]18C[C@H]2CC[C@H]1N24.C16C[C@H]2CC[C@@H](C1)S2.c17ccoc1Cl.O=C36.C47=O.N35.C58
|
CS(=O)(=O)CC(=O)N[C@@]1(C#N)CCN(c2ncnc3cc(Br)sc23)C1
|
CS=O)=O)CC=O)N[C@@]C#N))CCNcncncccBr)sc95)))))))))C5
|
[C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=Branch1][C][=O][N][C@@][Branch1][Ring1][C][#N][C][C][N][Branch1][P][C][=N][C][=N][C][C][=C][Branch1][C][Br][S][C][Ring1][#Branch2][=Ring1][=Branch1][C][Ring1][P]
|
c16ncnc2cc(Br)sc12.[C@]15(C#N)CCN6C1.CS(=O)(=O)CC4=O.N45
|
Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)[C@H](C)[C@@H](O)C(C)C)[C@H](C)C2)c(Cl)n1
|
Ccccc[C@@H]C[C@H]3C=O)NCCNC=O)[C@H]C)[C@@H]O)CC)C)))))[C@H]C)C6))))))))))cCl)n6
|
[C][C][=C][C][=C][Branch2][Ring2][=Branch2][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][Ring1][S][C][Branch1][C][Cl][=N][Ring2][Ring1][N]
|
C4(=O)[C@H](C)[C@@H](O)C(C)C.Cc1ccc6c(Cl)n1.N13CCN4[C@H](C)C1.[C@@H]16C[C@H]15.C35=O
|
O=S(=O)(c1ccc(N2C[C@@H]3C[C@H]2CS3)nc1)N1CCC[C@H](n2cccn2)C1
|
O=S=O)ccccNC[C@@H]C[C@H]5CS5)))))))nc6))))))NCCC[C@H]ncccn5)))))C6
|
[O][=S][=Branch1][C][=O][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][N][N][C][C@@H1][C][C@H1][Ring1][Branch1][C][S][Ring1][Branch1][N][=C][Ring1][=N][N][C][C][C][C@H1][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Ring1][O]
|
O=S4(=O)c1ccc5nc1.N15C[C@@H]2C[C@H]1CS2.N14CCC[C@H]6C1.n16cccn1
|
CCOC1CC(CC(=O)N[C@H]2CCO[C@H]2C(=O)NCCOCC2CC2)C1
|
CCOCCCCC=O)N[C@H]CCO[C@H]5C=O)NCCOCCCC3)))))))))))))))))C4
|
[C][C][O][C][C][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C@H1][C][C][O][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][#Branch1]
|
[C@H]1%12CCO[C@H]1%13.C1%10CC4C1.C4C3=O.C6%13=O.C%11C8.C15CC1.CC7.O7%10.N3%12.N6%11.O89.C95
|
C[C@@H]1CN(C(=O)C=Cc2ccc[nH]2)C[C@H](CCNC(=O)C=Cc2cn[nH]c2)O1
|
C[C@@H]CNC=O)C=Ccccc[nH]5))))))))C[C@H]CCNC=O)C=Cccn[nH]c5)))))))))))O6
|
[C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][NH1][Ring1][Branch1][C][C@H1][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=C][C][C][=N][NH1][C][=Ring1][Branch1][O][Ring2][Ring1][O]
|
C[C@@H]1CN3C[C@H]8O1.C=6c1ccc[nH]1.C=7c1cn[nH]c1.C3(=O)C=6.C4(=O)C=7.C8C5.N45
|
O=C1C[C@H](C(=O)N2[C@H](C(=O)N3CC(F)(F)[C@H]3C3CC3)C[C@@H]3CCC[C@@H]32)CN1
|
O=CC[C@H]C=O)N[C@H]C=O)NCCF)F)[C@H]4CCC3))))))))C[C@@H]CCC[C@@H]58)))))))))CN5
|
[O][=C][C][C@H1][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C@H1][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring2][Ring1][Ring1][C][N][Ring2][Ring1][#Branch2]
|
N14[C@H]6C[C@@H]2CCC[C@@H]21.N15CC(F)(F)[C@H]18.O=C1C[C@H]7CN1.C47=O.C56=O.C18CC1
|
C=CC=C(C)C(=O)N1CCC[C@H]1C1(C(=O)NCc2nc[nH]n2)CC1
|
C=CC=CC)C=O)NCCC[C@H]5CC=O)NCcnc[nH]n5))))))))CC3
|
[C][=C][C][=C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][N][=C][NH1][N][=Ring1][Branch1][C][C][Ring1][N]
|
N13CCC[C@H]19.C=7(C)C3=O.c18nc[nH]n1.C169CC1.C=CC=7.C46=O.N45.C58
|
C=CC[C@H](CNC(=O)Cc1cccc(C)c1)C(=O)N[C@H](C(C)C)C1CCC1
|
C=CC[C@H]CNC=O)CcccccC)c6))))))))))C=O)N[C@H]CC)C))CCCC4
|
[C][=C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2]
|
C=CC[C@H](C4)C3=O.c17cccc(C)c1.[C@H]56C(C)C.C2(=O)C7.C16CCC1.N24.N35
|
O=C(C1CC2(C1)CC(O)(C(F)(F)F)C2)N1CCOC2(C1)CN(C(=O)[C@H]1C[C@@H]1F)C2
|
O=CCCCC4)CCO)CF)F)F))C4))))))NCCOCC6)CNC=O)[C@H]C[C@@H]3F)))))C4
|
[O][=C][Branch2][Ring1][O][C][C][C][Branch1][Ring2][C][Ring1][Ring2][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][N][C][C][O][C][Branch1][Ring2][C][Ring1][=Branch1][C][N][Branch1][O][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][F][C][Ring1][O]
|
N13CCOC2(C1)CN4C2.C15CC2(C1)CC7(O)C2.C7(F)(F)F.[C@H]16C[C@@H]1F.O=C35.C46=O
|
CNC(=O)C[C@H](C)CNC(=O)[C@@H]1CN(C(=O)[C@H](C)COC)CCO1
|
CNC=O)C[C@H]C)CNC=O)[C@@H]CNC=O)[C@H]C)COC)))))CCO6
|
[C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][O][C][C][C][O][Ring1][=N]
|
C2(=O)C[C@H](C)C6.[C@@H]17CN4CCO1.C4(=O)[C@H](C)C5.C37=O.CN2.N36.O5C
|
N#CCC(=O)N1CCC[C@@]2(CNC(=O)c3cc(CC4CCC4)c[nH]3)CCCC[C@H]12
|
N#CCC=O)NCCC[C@@]CNC=O)cccCCCCC4)))))c[nH]5))))))))CCCC[C@H]%106
|
[N][#C][C][C][=Branch1][C][=O][N][C][C][C][C@@][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][C][C][C][C][Ring1][Ring2][=C][NH1][Ring1][#Branch2][C][C][C][C][C@H1][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2]
|
N15CCC[C@@]29CCCC[C@H]12.c18cc%11c[nH]1.N#CCC5=O.C1%10CCC1.C68=O.C79.N67.C%10%11
|
C=CC[C@@H](C)C(=O)NC[C@@H]1CC[C@H]1NC(=O)CSc1nc2ccc(C)cc2[nH]1
|
C=CC[C@@H]C)C=O)NC[C@@H]CC[C@H]4NC=O)CScnccccC)cc6[nH]9
|
[C][=C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@H1][Ring1][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]
|
c19nc2ccc(C)cc2[nH]1.C=CC[C@@H](C)C3=O.[C@@H]18CC[C@H]17.C4(=O)C6.N35.C58.N47.S69
|
Cc1cc(C(=O)N[C@]2(C)C[C@@H](NC(=O)c3ccc4nccnc4n3)C2)nnc1C
|
CcccC=O)N[C@]C)C[C@@H]NC=O)ccccnccnc6n%10))))))))))))C4))))))nnc6C
|
[C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][C][C][C][C@@H1][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][Ring2][Ring1][C][=N][N][=C][Ring2][Ring1][O][C]
|
c1%10ccc2nccnc2n1.Cc1cc9nnc1C.[C@]17(C)C[C@H]8C1.C59=O.C6%10=O.N57.N68
|
C/C=C/CCCCC(=O)N[C@H]1CC[C@H](CNC(=O)c2cc(OC)cs2)C1
|
C/C=C/CCCCC=O)N[C@H]CC[C@H]CNC=O)cccOC))cs5))))))))C5
|
[C][/C][=C][/C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][S][Ring1][#Branch1][C][Ring1][S]
|
C=9CCCCC3=O.[C@H]17CC[C@H]%10C1.c18cc5cs1.C48=O.CC=9.N37.C6%10.N46.O5C
|
C/C=C/C[C@H](CC)C(=O)N(C)[C@@H](CNC(=O)C(C)(C)OCC)C1CC1
|
C/C=C/C[C@H]CC))C=O)NC)[C@@H]CNC=O)CC)C)OCC)))))))CCC3
|
[C][/C][=C][/C][C@H1][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][O][C][C][C][C][C][Ring1][Ring1]
|
C=8C[C@H](CC)C2=O.C3(=O)C4(C)C.[C@@H]69C7.N26C.C19CC1.CC=8.N37.O45.C5C
|
C=C[C@H](OC)C(=O)NC[C@H]1CCN(C(=O)[C@@H](C)NC(=O)C2CC2)C1(C)C
|
C=C[C@H]OC))C=O)NC[C@H]CCNC=O)[C@@H]C)NC=O)CCC3)))))))C5C)C
|
[C][=C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][Ring1][#C][Branch1][C][C][C]
|
[C@H]1%10CCN4C1(C)C.C=C[C@H]6C3=O.C4(=O)[C@H]8C.C59=O.C19CC1.O6C.N37.C7%10.N58
|
COC(=O)C[C@H]1CCN(C(=O)C[C@H](C)CNC(=O)C2CC(OC)(OC)C2)C1
|
COC=O)C[C@H]CCNC=O)C[C@H]C)CNC=O)CCCOC))OC))C4))))))))))C5
|
[C][O][C][=Branch1][C][=O][C][C@H1][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][C][Branch1][Ring1][O][C][Branch1][Ring1][O][C][C][Ring1][Branch2][C][Ring2][Ring1][=Branch1]
|
C4(=O)C[C@H](C)C8.[C@H]1%10CCN4C1.C19CC67C1.C3(=O)C%10.C59=O.CO3.N58.O6C.O7C
|
CS[C@@H](C(=O)NC[C@H]1CCN(C(=O)CCOCC(F)(F)F)C1)c1ccccc1
|
CS[C@@H]C=O)NC[C@H]CCNC=O)CCOCCF)F)F)))))))C5))))))))cccccc6
|
[C][S][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1]
|
[C@H]18CCN3C1.c19ccccc1.[C@@H]79C2=O.C3(=O)CC4.C5C(F)(F)F.CS7.N26.C68.O45
|
Cc1cc(C(=O)N[C@@H](C)C2(O)CN(C(=O)c3cccnc3)C2)nn1C1CC1
|
CcccC=O)N[C@@H]C)CO)CNC=O)ccccnc6)))))))C4)))))))nn5CCC3
|
[C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][Branch1][C][O][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][=N][=N][N][Ring2][Ring1][#Branch1][C][C][C][Ring1][Ring1]
|
Cc1cc7nn1%10.C19(O)CN5C1.c18cccnc1.C47=O.[C@@H]69C.C58=O.C1%10CC1.N46
|
O=C([C@@H]1CC12CCNCC2)N1CCN(CCCC[C@H]2CCCNC2)CC1
|
O=C[C@@H]CC3CCNCC6))))))))NCCNCCCC[C@H]CCCNC6))))))))))CC6
|
[O][=C][Branch1][=N][C@@H1][C][C][Ring1][Ring1][C][C][N][C][C][Ring1][=Branch1][N][C][C][N][Branch1][=N][C][C][C][C][C@H1][C][C][C][N][C][Ring1][=Branch1][C][C][Ring1][S]
|
[C@@H]15CC12CCNCC2.N13CCN4CC1.[C@H]16CCCNC1.C4CCC6.O=C35
|
CN(CC1(CNC(=O)[C@H]2CC23CC(C)(C)C3)CC1)C(=O)c1cnn(CC2CC2)c1
|
CNCCCNC=O)[C@H]CC3CCC)C)C4)))))))))CC3))))C=O)ccnnCCCC3))))c5
|
[C][N][Branch2][Ring1][S][C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][=Branch1][C][=O][C][C][=N][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Ring1][=Branch2]
|
[C@H]19CC12CC(C)(C)C2.c1%10cnn%11c1.C1%12%13CC1.CN67.C49=O.C6%10=O.C15CC1.C7%12.C8%13.N48.C%115
|
COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)Nc1cc(Cl)c(OC)cc1OC
|
COC=O)[C@@H]C[C@H]CCCOC6)))))))NC=O)NcccCl)cOC))cc6OC
|
[C][O][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C@H1][C][C][C][O][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Ring1][O][C][C][=C][Ring1][=Branch2][O][C]
|
c18cc(Cl)c5cc16.C2(=O)[C@H]7C9.[C@H]19CCCOC1.C34=O.CO2.N37.N48.O5C.O6C
|
C[C@@H](C(=O)NCc1cnc(O)c(F)c1)N(C)C(=O)c1cncc(C#N)c1
|
C[C@@H]C=O)NCccncO)cF)c6)))))))))NC)C=O)ccnccC#N))c6
|
[C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][N][=C][Branch1][C][O][C][Branch1][C][F][=C][Ring1][Branch2][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][N][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]
|
c17cnc(O)c(F)c1.c16cncc(C#N)c1.C[C@H]4C2=O.N34C.C36=O.N25.C57
|
CCc1cc(C(=O)N(C)CC[C@@H](NC(=O)c2cc(C)c(Cl)s2)C(C)C)ccc1F
|
CCcccC=O)NC)CC[C@@H]NC=O)cccC)cCl)s5)))))))CC)C)))))))ccc6F
|
[C][C][C][=C][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][S][Ring1][#Branch1][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][#Branch2][F]
|
c19cc8ccc1F.C5C[C@@H]6C(C)C.c17cc(C)c(Cl)s1.C38=O.N35C.C47=O.CC9.N46
|
C[C@@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H]1C=CCCCC1)N1CCOC1=O
|
C[C@@H]C=O)NC[C@H]O)C[C@H]5C=O)N[C@H]C=CCCCC7)))))))))))))))NCCOC5=O
|
[C][C@@H1][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][=C][C][C][C][C][Ring1][#Branch1][N][C][C][O][C][Ring1][Branch1][=O]
|
N12C[C@H](O)C[C@H]15.[C@H]14C=CCCCC1.N16CCOC1=O.C[C@H]6C2=O.C35=O.N34
|
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