SMILES
stringlengths 14
128
| Deep SMILES
stringlengths 13
127
| SELFIES
stringlengths 53
379
| SAFE
stringlengths 20
153
|
|---|---|---|---|
CC1=C(C(=O)N2C[C@@H](O)[C@H](NC(=O)C(=O)Nc3ncc[nH]3)C2)CCC(C)(C)C1
|
CC=CC=O)NC[C@@H]O)[C@H]NC=O)C=O)Ncncc[nH]5)))))))))C5))))))CCCC)C)C6
|
[C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][=C][NH1][Ring1][Branch1][C][Ring1][P][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][O]
|
CC1=C(C4=O)CCC(C)(C)C1.N14C[C@@H]8[C@H](O)C1.C5(=O)C6=O.c17ncc[nH]1.N58.N67
|
CC[C@]1(C(=O)NC2CN(C(C)=O)C2)CCN(C(=O)c2csnc2C)C1
|
CC[C@]C=O)NCCNCC)=O))C4))))))CCNC=O)ccsnc5C)))))))C5
|
[C][C][C@][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Ring1][#Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][S][N][=C][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1]
|
[C@]179CCN5C1.c18csnc1C.C16CN4C1.C37=O.C4(C)=O.C58=O.CC9.N36
|
CC[C@H](CCC(=O)N[C@@H]1CCOC[C@H]1O)NC(=O)CCS(N)(=O)=O
|
CC[C@H]CCC=O)N[C@@H]CCOC[C@H]6O)))))))))))NC=O)CCSN)=O)=O
|
[C][C][C@H1][Branch1][P][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][C@H1][Ring1][=Branch1][O][N][C][=Branch1][C][=O][C][C][S][Branch1][C][N][=Branch1][C][=O][=O]
|
CC[C@@H]4CCC2=O.C3(=O)CCS(N)(=O)=O.[C@@H]15CCOC[C@H]1O.N25.N34
|
Cc1cc(CC(=O)NCC2=CCN(C(=O)C3(C)C[C@@H]4C[C@H]4C3)CC2)no1
|
CcccCC=O)NCC=CCNC=O)CC)C[C@@H]C[C@H]3C6)))))))CC6))))))))))no5
|
[C][C][=C][C][Branch2][Ring2][Ring2][C][C][=Branch1][C][=O][N][C][C][=C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][Ring1][#Branch1][C][C][Ring1][#C][=N][O][Ring2][Ring1][=Branch2]
|
C7C1=CCN6CC1.C18(C)C[C@@H]2C[C@H]2C1.Cc1cc9no1.C9C5=O.C68=O.N57
|
CN(CCCCCNC(=O)Cc1csc(=N)[nH]1)C(=O)C[C@@H]1COC(C)(C)C1
|
CNCCCCCNC=O)Cccsc=N)[nH]5)))))))))))))C=O)C[C@@H]COCC)C)C5
|
[C][N][Branch2][Ring1][=Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Branch1][C][=N][NH1][Ring1][=Branch1][C][=Branch1][C][=O][C][C@@H1][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch1]
|
[C@@H]17COC(C)(C)C1.C4CCCC5.c16csc(=N)[nH]1.C2(=O)C6.C3(=O)C7.CN34.N25
|
CC(C)c1cnn(C)c1C(=O)N1[C@H]2CC[C@H]1[C@H](C)[C@H](NC(=O)c1nncn1C)C2
|
CCC)ccnnC)c5C=O)N[C@H]CC[C@H]5[C@H]C)[C@H]NC=O)cnncn5C))))))))C7
|
[C][C][Branch1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C@H1][Branch1][C][C][C@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=N][N][=C][N][Ring1][Branch1][C][C][Ring1][P]
|
N13[C@H]2CC[C@H]1[C@H](C)[C@H]5C2.c18cnn(C)c16.c17nncn1C.CC8C.C36=O.C47=O.N45
|
C=C1CC[C@H]1C(=O)N(CCCNC(=O)C[C@@H]1CC(C)(C)CO1)C(C)C
|
C=CCC[C@H]4C=O)NCCCNC=O)C[C@@H]CCC)C)CO5)))))))))))CC)C
|
[C][=C][C][C][C@H1][Ring1][Ring2][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch1][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][O][Ring1][#Branch1][C][Branch1][C][C][C]
|
[C@@H]18CC(C)(C)CO1.C=C1CC[C@H]17.C4CC5.C3(=O)C8.C27=O.N246.C6(C)C.N35
|
C#CCCCCCNC(=O)[C@H](Cc1cc[nH]n1)NC(=O)[C@@H](C)CN(C)C
|
C#CCCCCCNC=O)[C@H]Cccc[nH]n5))))))NC=O)[C@@H]C)CNC)C
|
[C][#C][C][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][C][C][=C][NH1][N][=Ring1][Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][N][Branch1][C][C][C]
|
C#CCCCCC4.C2(=O)[C@@H]5C7.C3(=O)[C@@H](C)C6.c17cc[nH]n1.N6(C)C.N24.N35
|
C[C@H](C(=O)N1CC[C@@H](CCNC(=O)c2coc(Br)c2)C1)c1ccc(F)cc1
|
C[C@H]C=O)NCC[C@@H]CCNC=O)ccocBr)c5)))))))))C5))))))ccccF)cc6
|
[C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][C][C][N][C][=Branch1][C][=O][C][=C][O][C][Branch1][C][Br][=C][Ring1][=Branch1][C][Ring1][S][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]
|
c18ccc(F)cc1.N13CC[C@@H]7C1.c16coc(Br)c1.C[C@@H]8C3=O.C7C5.C46=O.N45
|
COC[C@]1(NC(=O)CCCn2c(C)csc2=O)CCN(C(=O)C2(O)CCC2)C1
|
COC[C@]NC=O)CCCncC)csc5=O)))))))))))CCNC=O)CO)CCC4)))))C5
|
[C][O][C][C@][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][C][C][N][C][Branch1][C][C][=C][S][C][Ring1][=Branch1][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
[C@]169CCN4C1.n18c(C)csc1=O.C3(=O)CCC8.C17(O)CCC1.C47=O.CO5.C59.N36
|
C=CC[C@]1(C(=O)N2CC[C@]2(C)COC)CCN(C(=O)C[C@@]23CCC[C@@H]2C3)C1
|
C=CC[C@]C=O)NCC[C@]4C)COC))))))))CCNC=O)C[C@@]CCC[C@@H]5C6))))))))C5
|
[C][=C][C][C@][Branch1][P][C][=Branch1][C][=O][N][C][C][C@][Ring1][Ring2][Branch1][C][C][C][O][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][C@@][C][C][C][C@@H1][Ring1][Branch1][C][Ring1][=Branch1][C][Ring2][Ring1][Branch2]
|
[C@]179CCN5C1.N14CC[C@@]18C.[C@@]12%10CCC[C@@H]1C2.C5(=O)C%10.C=CC9.C47=O.C68.O6C
|
C[C@@H](C(=O)N[C@H]1CN(C(=O)C2CCC3(CC2)OCCO3)C(C)(C)C1)C(F)(F)F
|
C[C@@H]C=O)N[C@H]CNC=O)CCCCCC6))OCCO5)))))))))CC)C)C5)))))))CF)F)F
|
[C][C@@H1][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@H1][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][C][Branch1][C][F][Branch1][C][F][F]
|
C17CCC2(CC1)OCCO2.C[C@@H](C4=O)C(F)(F)F.[C@H]16CN5C(C)(C)C1.C57=O.N46
|
CCC(CC)(CNC(=O)CCCn1cccn1)C(=O)N[C@@H](CO)c1ccccn1
|
CCCCC))CNC=O)CCCncccn5)))))))))))C=O)N[C@@H]CO))cccccn6
|
[C][C][C][Branch1][Ring1][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][N][C][=C][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][C][=N][Ring1][=Branch1]
|
CCC(C4)(CC)C3=O.C2(=O)CCC6.c17ccccn1.n16cccn1.[C@@H]57CO.N24.N35
|
CC(C)(C)C#CC(=O)N[C@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(F)c1F
|
CCC)C)C#CC=O)N[C@H]CCC[C@H]5NC=O)cccF)cF)cF)c6F
|
[C][C][Branch1][C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][F]
|
c16cc(F)c(F)c(F)c1F.CC(C)(C)C#CC2=O.[C@H]14CCC[C@H]15.C36=O.N24.N35
|
CC(C)(C(=O)NC[C@H]1CO[C@H](CNC(=O)C(F)(F)C2CC2)C1)c1sccc1Cl
|
CCC)C=O)NC[C@H]CO[C@H]CNC=O)CF)F)CCC3)))))))C5))))))))csccc5Cl
|
[C][C][Branch1][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C@H1][C][O][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][C][C][Ring1][Ring1][C][Ring1][#C][C][S][C][=C][C][=Ring1][Branch1][Cl]
|
CC8(C)C3=O.[C@H]19CO[C@H]7C1.C4(=O)C%10(F)F.c18sccc1Cl.C1%10CC1.N35.C59.C67.N46
|
C[C@H](CF)C(=O)N(C)C1CCC(NC(=O)[C@@H]2CCCC23CCC3)CC1
|
C[C@H]CF))C=O)NC)CCCCNC=O)[C@@H]CCCC5CCC4))))))))))CC6
|
[C][C@H1][Branch1][Ring1][C][F][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][Ring1][Branch1][C][C][C][Ring1][Ring2][C][C][Ring1][P]
|
[C@@H]18CCCC12CCC2.C16CCC7CC1.C[C@H](CF)C4=O.N46C.C58=O.N57
|
C#CCN1CCC(CCCCCNC(=O)C2CCC=CCC2)CC1
|
C#CCNCCCCCCCCNC=O)CCCC=CCC7))))))))))))))CC6
|
[C][#C][C][N][C][C][C][Branch2][Ring1][Ring2][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][C][C][=C][C][C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch1]
|
N14CCC7CC1.C16CCC=CCC1.C7CCCC5.C#CC4.C36=O.N35
|
CCC[C@H](CCO)CNC(=O)[C@H](Cn1cccn1)NC(=O)c1ccc(C)cc1F
|
CCC[C@H]CCO)))CNC=O)[C@H]Cncccn5))))))NC=O)ccccC)cc6F
|
[C][C][C][C@H1][Branch1][Ring2][C][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][F]
|
CCC[C@@H](C4)CCO.c16ccc(C)cc1F.C2(=O)[C@@H]5C7.n17cccn1.C36=O.N24.N35
|
CCOc1nc(C)ccc1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@](C)(COC)OC
|
CCOcncC)ccc6C=O)N[C@H]COC[C@H]5NC=O)[C@@]C)COC)))OC
|
[C][C][O][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C@H1][C][O][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][Ring2][C][O][C][O][C]
|
c17nc(C)ccc1%10.C3(=O)[C@@]6(C)C5.[C@H]18COC[C@H]19.C2%10=O.CC4.O47.N28.N39.O5C.O6C
|
CCCCC(=O)N1CCN(C(=O)CCCC(=O)c2ccccc2N)CC1
|
CCCCC=O)NCCNC=O)CCCC=O)cccccc6N))))))))))))CC6
|
[C][C][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][Ring2][Ring1][Ring2]
|
C4(=O)CCCC5=O.N13CCN4CC1.c15ccccc1N.CCCCC3=O
|
CN(C[C@@H]1CCN(C(=O)C23C4C5C2C2C3C4C52CO)C1)C(=O)c1cncnc1
|
CNC[C@@H]CCNC=O)CCCC4CC6C6C64CO)))))))))))C5))))))C=O)ccncnc6
|
[C][N][Branch2][Ring2][Ring2][C][C@@H1][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][Ring1][=Branch1][C][Ring1][=Branch1][C][Ring1][=Branch1][Ring1][Ring2][C][O][C][Ring1][P][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1]
|
C129C3C4C1C1C2C3C41%12.[C@@H]1%11CCN6C1.c1%10cncnc1.CN78.C69=O.C7%10=O.C8%11.C%12O
|
CC(=O)N[C@H](C(=O)NCC[C@@H](NC(=O)[C@@H](F)n1cccn1)C(C)C)C1CCCC1
|
CC=O)N[C@H]C=O)NCC[C@@H]NC=O)[C@@H]F)ncccn5))))))))CC)C)))))))CCCCC5
|
[C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][Branch1][C][F][N][C][=C][C][=N][Ring1][Branch1][C][Branch1][C][C][C][C][C][C][C][C][Ring1][Branch1]
|
C6C[C@@H]7C(C)C.[C@H]59C3=O.C4(=O)[C@H]8F.n18cccn1.C19CCCC1.CC2=O.N25.N36.N47
|
Cc1noc(CCCC(=O)NC[C@H]2CCN2C(=O)COCc2nccn2C)n1
|
CcnocCCCC=O)NC[C@H]CCN4C=O)COCcnccn5C))))))))))))))))))))n5
|
[C][C][=N][O][C][Branch2][Ring1][#C][C][C][C][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][C][=N][C][=C][N][Ring1][Branch1][C][=N][Ring2][Ring1][O]
|
Cc1noc9n1.C9CCC3=O.c1%10nccn1C.[C@H]18CCN14.C4(=O)C5.N37.C78.O56.C6%10
|
C[C@H]1CCC(F)(F)CN1C(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)[C@H]21
|
C[C@H]CCCF)F)CN6C=O)[C@@H][C@H]CNC=O)OCC)C)C))))[C@H]45
|
[C][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][Branch2][C][=Branch1][C][=O][C@@H1][C@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][O][Ring1][N]
|
C[C@H]1CCC(F)(F)CN14.[C@@H]17[C@H]2CN5[C@@H]12.C6(C)(C)C.C47=O.C35=O.O36
|
CO[C@H]1C[C@@H](C(=O)N(C)[C@@H](C)CCNC(=O)c2cccc(OC(C)C)c2)C1
|
CO[C@H]C[C@@H]C=O)NC)[C@@H]C)CCNC=O)cccccOCC)C)))c6)))))))))))))C4
|
[C][O][C@H1][C][C@@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2][C][Ring2][Ring1][=Branch2]
|
c1%11cccc7c1.[C@H]16C[C@@H]%10C1.[C@H]8(C)CC9.C3%10=O.N38C.C4%11=O.C5(C)C.CO6.N49.O57
|
C[C@@H]1COCC[C@H]1C(=O)NCC1(CNC(=O)CCC(C)(C)C)CCCC1
|
C[C@@H]COCC[C@H]6C=O)NCCCNC=O)CCCC)C)C)))))))CCCC5
|
[C][C@@H1][C][O][C][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][Ring1][#C]
|
C3(=O)CCC(C)(C)C.C[C@@H]1COCC[C@H]16.C178CCCC1.C26=O.N24.C47.C58.N35
|
C=C[C@H](OC)C(=O)N1CCN(C(=O)CNC(=O)CN(C)C)[C@@H](CC)C1
|
C=C[C@H]OC))C=O)NCCNC=O)CNC=O)CNC)C)))))))[C@@H]CC))C6
|
[C][=C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C@@H1][Branch1][Ring1][C][C][C][Ring2][Ring1][C]
|
N12CCN3[C@@H]8C1.C=C[C@H]5C2=O.C3(=O)C6.C4(=O)C7.N7(C)C.O5C.N46.C8C
|
C[C@@H](CF)C(=O)N(C)[C@@H]1CCCN(C(=O)CCc2cccc(C(F)F)c2)CC1
|
C[C@@H]CF))C=O)NC)[C@@H]CCCNC=O)CCcccccCF)F))c6)))))))))CC7
|
[C][C@@H1][Branch1][Ring1][C][F][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][=Branch1][C][Branch1][C][F][F][=C][Ring1][=Branch2][C][C][Ring2][Ring1][Ring2]
|
[C@@H]15CCCN4CC1.c16cccc7c1.C[C@@H](CF)C3=O.C4(=O)CC6.N35C.C7(F)F
|
COC1(CNC(=O)Cc2ccsc2C)CN(C(=O)c2noc3c2CCCCC3)C1
|
COCCNC=O)Ccccsc5C))))))))))CNC=O)cnocc5CCCCC7)))))))))))C4
|
[C][O][C][Branch1][S][C][N][C][=Branch1][C][=O][C][C][C][=C][S][C][=Ring1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][O]
|
c18noc2c1CCCCC2.C169CN5C1.c1%10ccsc1C.C4(=O)C%10.C58=O.CO6.C79.N47
|
CNS(=O)(=O)CCC(=O)N1CC([C@H](C)NC(=O)[C@@]2(C)CCCS2)C1
|
CNS=O)=O)CCC=O)NCC[C@H]C)NC=O)[C@@]C)CCCS5))))))))C4
|
[C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@][Branch1][C][C][C][C][C][S][Ring1][=Branch1][C][Ring1][#C]
|
S6(=O)(=O)CCC3=O.[C@]17(C)CCCS1.N13CC8C1.[C@@H]58C.C47=O.CN6.N45
|
CC1(C)CCC[C@@H](C(=O)NC2(CCNC(=O)c3cscc3Cl)CC2)CC1
|
CCC)CCC[C@@H]C=O)NCCCNC=O)ccscc5Cl))))))))))CC3)))))CC7
|
[C][C][Branch1][C][C][C][C][C][C@@H1][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][Branch1][S][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][Cl][C][C][Ring1][=C][C][C][Ring2][Ring1][=Branch2]
|
CC1(C)CCC[C@@H]8CC1.c19cscc1Cl.C16%10CC1.C48=O.C%10C7.C59=O.N46.N57
|
Cc1ocnc1CNC(=O)CCCCCN(C)C(=O)[C@](C)(O)C(C)C
|
Ccocnc5CNC=O)CCCCCNC)C=O)[C@]C)O)CC)C
|
[C][C][O][C][=N][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][C]
|
C2(=O)CCCCC5.C3(=O)[C@](C)(O)C(C)C.Cc1ocnc16.N35C.C46.N24
|
CNC(=O)C[C@H](C)CNC(=O)c1ncoc1CNC(=O)CCCOC(C)(C)C
|
CNC=O)C[C@H]C)CNC=O)cncoc5CNC=O)CCCOCC)C)C
|
[C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][O][C][Branch1][C][C][Branch1][C][C][C]
|
C2(=O)C[C@H](C)C7.c19ncoc1%10.C4(=O)CCC5.C6(C)(C)C.C39=O.CN2.N37.C8%10.N48.O56
|
Cc1nc(O)cc(C(=O)N2CCC([C@H](C)C(=O)N3CC=CCC3)CC2)n1
|
CcncO)ccC=O)NCCC[C@H]C)C=O)NCC=CCC6))))))))CC6)))))))n6
|
[C][C][=N][C][Branch1][C][O][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][Branch1][P][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][C][Ring1][=Branch1][C][C][Ring1][S][=N][Ring2][Ring1][=Branch2]
|
Cc1nc6cc(O)n1.N14CCC7CC1.N15CC=CCC1.[C@@H]7(C)C5=O.C46=O
|
C[C@@]1(CNC(=O)c2ccncc2)CCC[C@H]1NC(=O)c1csc2nccn12
|
C[C@@]CNC=O)cccncc6)))))))))CCC[C@H]5NC=O)ccscnccn85
|
[C][C@@][Branch1][#C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C@H1][Ring1][#C][N][C][=Branch1][C][=O][C][=C][S][C][=N][C][=C][N][Ring1][Branch2][Ring1][Branch1]
|
c17csc2nccn12.C[C@@]19CCC[C@H]16.c18ccncc1.C38=O.C47=O.C59.N35.N46
|
N#CCCC(=O)N1C[C@@H]2CC[C@@]2(CCNC(=O)C2(CF)CC(F)(F)C2)C1
|
N#CCCC=O)NC[C@@H]CC[C@@]4CCNC=O)CCF))CCF)F)C4))))))))C7
|
[N][#C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C@@][Ring1][Ring2][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][F][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2][C][Ring2][Ring1][Ring2]
|
N13C[C@@H]2CC[C@@]27C1.C168CC(F)(F)C1.N#CCCC3=O.C7C5.C46=O.N45.C8F
|
C=C[C@@H]1CN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)CCO1
|
C=C[C@@H]CNC=O)ccccC)ccF)cc6[nH]9))))))))))CCO6
|
[C][=C][C@@H1][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][F][C][=C][Ring1][Branch2][NH1][Ring1][O][C][C][O][Ring2][Ring1][Ring1]
|
c15cc2c(C)cc(F)cc2[nH]1.C=C[C@@H]1CN4CCO1.C45=O
|
CN(C)CC[C@](C)(O)C(=O)NC[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]3O[C@@H]2[C@@H]2C[C@@H]23)C1
|
CNC)CC[C@]C)O)C=O)NC[C@H]C[C@@H]C=O)NC[C@H]C[C@H]O[C@@H]5[C@@H]C[C@@H]36)))))))))))C4
|
[C][N][Branch1][C][C][C][C][C@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C@@H1][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C@H1][O][C@@H1][Ring1][Branch1][C@@H1][C][C@@H1][Ring1][Ring1][Ring1][=Branch1][C][Ring1][S]
|
C6C[C@](C)(O)C4=O.[C@H]1%11C[C@H]2O[C@@H]1[C@@H]1C[C@@H]12.[C@H]1%10C[C@@H]9C1.CN6C.C59=O.N47.C7%10.N58.C8%11
|
O=C(NC[C@@]12CCC[C@@H](CN1C(=O)c1cc3c(s1)CCCC3)C2)c1cccnn1
|
O=CNC[C@@]CCC[C@@H]CN7C=O)ccccs5)CCCC6)))))))))))C6))))))))ccccnn6
|
[O][=C][Branch2][Ring2][=Branch1][N][C][C@@][C][C][C][C@@H1][Branch2][Ring1][Branch2][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][=C][C][=C][N][=N][Ring1][=Branch1]
|
[C@@]129CCC[C@@H](CN15)C2.c18cc2c(s1)CCCC2.c17cccnn1.O=C47.C58=O.N46.C69
|
CCC1=NO[C@H](C(=O)N[C@H]2CC[C@@H](C)N(C(=O)CC3=CCCCC3)C2)C1
|
CCC=NO[C@H]C=O)N[C@H]CC[C@@H]C)NC=O)CC=CCCCC6))))))))C6))))))))C5
|
[C][C][C][=N][O][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][Ring2][Ring1][Branch2]
|
C5(=O)CC1=CCCCC1.[C@H]16CC[C@@H](C)N5C1.CCC1=NO[C@H]7C1.C47=O.N46
|
C[C@@H](CC(=O)N1C[C@@]2(CNC(=O)[C@H](O)C(C)(C)C)C[C@H]1CCO2)N(C)C
|
C[C@@H]CC=O)NC[C@@]CNC=O)[C@H]O)CC)C)C))))))C[C@H]5CCO6))))))))))NC)C
|
[C][C@@H1][Branch2][Ring2][#Branch1][C][C][=Branch1][C][=O][N][C][C@@][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C][C][C@H1][Ring1][#C][C][C][O][Ring1][S][N][Branch1][C][C][C]
|
N13C[C@@]27C[C@H]1CCO2.C4(=O)[C@H](O)C(C)(C)C.C[C@H]5CC3=O.N5(C)C.C67.N46
|
CC1(CNC(=O)[C@@H]2CC(F)(F)CN2C(=O)[C@@H]2OCCCC2(C)C)CC(F)(F)C1
|
CCCNC=O)[C@@H]CCF)F)CN5C=O)[C@@H]OCCCC6C)C))))))))))))))))CCF)F)C4
|
[C][C][Branch2][Ring2][Ring2][C][N][C][=Branch1][C][=O][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C@@H1][O][C][C][C][C][Ring1][=Branch1][Branch1][C][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring2][Ring1][O]
|
[C@@H]16CC(F)(F)CN14.[C@@H]17OCCCC1(C)C.CC18CC(F)(F)C1.C36=O.C47=O.C58.N35
|
COCC[C@@H](NC(=O)c1cnc(CNC(=O)CC2=CCCC2)nc1)C(N)=O
|
COCC[C@@H]NC=O)ccncCNC=O)CC=CCCC5)))))))))nc6))))))))CN)=O
|
[C][O][C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C][C][=C][C][C][C][Ring1][Branch1][N][=C][Ring1][S][C][Branch1][C][N][=O]
|
C4(=O)CC1=CCCC1.C5C[C@@H]6C(N)=O.c18cnc9nc1.C38=O.CO5.N36.C79.N47
|
Cc1ncc(NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1C(N)=O
|
CcnccNC=O)NC[C@H]CS=O)=O)cccccc69)))))))))))))cc6CN)=O
|
[C][C][=N][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][N][=O]
|
C6[C@H]1CS(=O)(=O)c2ccccc21.Cc1ncc7cc18.C45=O.C8(N)=O.N47.N56
|
CC[C@@H]1C[C@H](C(=O)N2CC[C@@H](Nc3ccc(Br)cc3[N+](=O)[O-])[C@H](CC)C2)CCO1
|
CC[C@@H]C[C@H]C=O)NCC[C@@H]NccccBr)cc6[N+]=O)[O-])))))))))[C@H]CC))C6)))))))CCO6
|
[C][C][C@@H1][C][C@H1][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][C][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C@H1][Branch1][Ring1][C][C][C][Ring2][Ring1][Ring1][C][C][O][Ring2][Ring1][O]
|
c15ccc(Br)cc1[N+](=O)[O-].N14CC[C@@H]6[C@H]9C1.[C@@H]18C[C@H]7CCO1.C47=O.CC8.N56.C9C
|
CN1C[C@H](NC(=O)[C@H]2CCCN(C(=O)C3(N)CCCC3)CC2)CCC1=O
|
CNC[C@H]NC=O)[C@H]CCCNC=O)CN)CCCC5))))))CC7)))))))))CCC6=O
|
[C][N][C][C@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][Ring1][=Branch1][C][C][Ring1][#C][C][C][C][Ring2][Ring1][Branch2][=O]
|
CN1C[C@H]6CCC1=O.[C@H]17CCCN5CC1.C18(N)CCCC1.C47=O.C58=O.N46
|
CCCSCCC(=O)N1CC2(CCC2)C[C@@H]1CNC(=O)c1ccc(CC2CC2)s1
|
CCCSCCC=O)NCCCCC4)))C[C@@H]5CNC=O)ccccCCCC3))))s5
|
[C][C][C][S][C][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][C@@H1][Ring1][Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][S][Ring1][=Branch2]
|
N13CC2(CCC2)C[C@@H]19.c18ccc%10s1.C7CC3=O.CCC6.C48=O.C1%11CC1.S67.C59.N45.C%10%11
|
COC(=O)[C@H](C)NC(=O)[C@@H](c1nnn(C)n1)N1C[C@@H](SC)CC1(C)C
|
COC=O)[C@H]C)NC=O)[C@@H]cnnnC)n5)))))NC[C@@H]SC))CC5C)C
|
[C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][O][C][N][=N][N][Branch1][C][C][N][=Ring1][=Branch1][N][C][C@@H1][Branch1][Ring1][S][C][C][C][Ring1][#Branch1][Branch1][C][C][C]
|
N15C[C@@H]7CC1(C)C.c16nnn(C)n1.C2(=O)[C@@H]4C.C3(=O)[C@H]56.CO2.N34.S7C
|
C[C@@H](CCNC(=O)C[C@H]1CCCC12CC2)NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C
|
C[C@@H]CCNC=O)C[C@H]CCCC5CC3))))))))))))NC=O)[C@@H]O)CNC=O)OCC)C)C
|
[C][C@@H1][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][C][C@H1][C][C][C][C][Ring1][Branch1][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]
|
[C@H]1%11CCCC12CC2.C5(=O)[C@@H](O)C%10.C[C@H]8CC9.C4(=O)C%11.C7(C)(C)C.C36=O.N49.N58.N6%10.O37
|
C=C1CN2C(=O)CC[C@@]2(C(=O)NC[C@@H](NC(=O)CNC(N)=O)C2CCCCC2)C1
|
C=CCNC=O)CC[C@@]5C=O)NC[C@@H]NC=O)CNCN)=O))))))CCCCCC6))))))))))C8
|
[C][=C][C][N][C][=Branch1][C][=O][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][N]
|
C=C1CN2C(=O)CC[C@@]29C1.C1%10CCCCC1.C6[C@@H]7%10.C4(=O)C8.C39=O.C5(N)=O.N36.N47.N58
|
COCC[C@H](NC(=O)CC[C@@H]1CCCO1)C(=O)NCC(=O)NC(C)(C)C
|
COCC[C@H]NC=O)CC[C@@H]CCCO5)))))))))C=O)NCC=O)NCC)C)C
|
[C][O][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C]
|
C5C[C@H]6C3=O.C2(=O)CC9.[C@@H]19CCCO1.C7C4=O.C8(C)(C)C.CO5.N26.N37.N48
|
CCCc1ccc(C(=O)N[C@H]2C[C@H]3C[C@H](NC(=O)Cc4[nH]cnc4C)C[C@H]32)cc1
|
CCCccccC=O)N[C@H]C[C@H]C[C@H]NC=O)Cc[nH]cnc5C)))))))))C[C@H]57)))))))))cc6
|
[C][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][NH1][C][=N][C][=Ring1][Branch1][C][C][C@H1][Ring1][#C][Ring1][P][C][=C][Ring2][Ring1][#Branch2]
|
[C@H]17C[C@H]2C[C@H]8C[C@H]21.c1%11ccc9cc1.c1%10[nH]cnc1C.C6(=O)C%10.CCC%11.C59=O.N57.N68
|
COc1nccc(C(=O)NCC(C)(C)CNC(=O)[C@@H]2CCCC[C@@H]2O)c1F
|
COcncccC=O)NCCC)C)CNC=O)[C@@H]CCCC[C@@H]6O))))))))))))))c6F
|
[C][O][C][=N][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][O][=C][Ring2][Ring1][Branch2][F]
|
c15nccc9c1F.[C@@H]18CCCC[C@@H]1O.C6C(C)(C)C7.C39=O.C48=O.CO5.N36.N47
|
C=C[C@H](C)NC(=NCCc1ccc(OC(C)C)cc1)NC[C@H]1CC(=O)N(C)C1=O
|
C=C[C@H]C)NC=NCCccccOCC)C)))cc6)))))))))NC[C@H]CC=O)NC)C5=O
|
[C][=C][C@H1][Branch1][C][C][N][C][=Branch2][Ring1][Ring2][=N][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][N][C][C@H1][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][#Branch1][=O]
|
N4C(=NCC7)N5.[C@H]16CC(=O)N(C)C1=O.c17ccc3cc1.C=C[C@@H]4C.C2(C)C.O23.C56
|
CN1CCN(c2nnc(-c3ccon3)s2)[C@H](CNC(=O)c2ccnc(O)c2)C1
|
CNCCNcnnc-cccon5)))))s5)))))[C@H]CNC=O)cccncO)c6)))))))))C6
|
[C][N][C][C][N][Branch1][P][C][=N][N][=C][Branch1][Branch2][C][C][=C][O][N][=Ring1][Branch1][S][Ring1][#Branch2][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring2][Ring1][O]
|
CN1CCN6[C@H]8C1.c17ccnc(O)c1.c16nnc9s1.c19ccon1.C47=O.C58.N45
|
CO[C@@H]1CN(C(=O)[C@H](C(C)C)C2CCC2)[C@](C)(CNC(=O)C#CC2CCCC2)C1
|
CO[C@@H]CNC=O)[C@H]CC)C))CCCC4))))))[C@]C)CNC=O)C#CCCCCC5))))))))))C5
|
[C][O][C@@H1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][C][C][C][Ring1][Ring2][C@][Branch1][C][C][Branch1][S][C][N][C][=Branch1][C][=O][C][#C][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring1][O]
|
C4(=O)C#CC1CCCC1.[C@@H]15CN3[C@@]7(C)C1.C3(=O)[C@@H]8C(C)C.C18CCC1.CO5.C67.N46
|
C[C@H](O)C(=O)N1C[C@H]2CCN(C(=O)c3cc(F)cc(F)c3Br)[C@@H](C2)C1
|
C[C@H]O)C=O)NC[C@H]CCNC=O)cccF)ccF)c6Br))))))))[C@@H]C6)C8
|
[C][C@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][Br][C@@H1][Branch1][Ring2][C][Ring1][P][C][Ring2][Ring1][Ring2]
|
N14C[C@H]2CCN5[C@@H](C2)C1.c16cc(F)cc(F)c1Br.C[C@H](O)C4=O.C56=O
|
CSc1cc(N2CC[C@@H]3CN(C(=O)c4ccc(Br)nc4F)C[C@H]3C2)ncn1
|
CScccNCC[C@@H]CNC=O)ccccBr)nc6F))))))))C[C@H]5C9)))))))))ncn6
|
[C][S][C][=C][C][Branch2][Ring1][P][N][C][C][C@@H1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][#Branch1][F][C][C@H1][Ring1][#C][C][Ring2][Ring1][Ring1][=N][C][=N][Ring2][Ring1][=Branch2]
|
N16CC[C@@H]2CN5C[C@H]2C1.c17ccc(Br)nc1F.c18cc6ncn1.C57=O.CS8
|
Cc1nscc1C(=O)N1CCCC[C@H]1CCNC(=O)C=CSc1nc[nH]n1
|
Ccnscc5C=O)NCCCC[C@H]6CCNC=O)C=CScnc[nH]n5
|
[C][C][=N][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][C][=C][S][C][N][=C][NH1][N][=Ring1][Branch1]
|
N12CCCC[C@H]16.Cc1nscc15.C3(=O)C=CS7.c17nc[nH]n1.C25=O.C6C4.N34
|
CN(C)C(=O)CC[C@H](NCCn1cnc(CO)c1)c1nnnn1CCC1(C)CC1
|
CNC)C=O)CC[C@H]NCCncncCO))c5))))))))cnnnn5CCCC)CC3
|
[C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][Branch1][#C][N][C][C][N][C][=N][C][Branch1][Ring1][C][O][=C][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][C][Branch1][C][C][C][C][Ring1][Ring2]
|
C2(=O)CC[C@H]37.n15cnc8c1.c17nnnn16.C19(C)CC1.CN2C.C4C5.C6C9.N34.C8O
|
CCn1ccc(C(=O)NC2CC(O)(CNC(=O)C3=NO[C@@]4(CCOC4)C3)C2)n1
|
CCncccC=O)NCCCO)CNC=O)C=NO[C@@]CCOC5))))C5))))))))C4))))))n5
|
[C][C][N][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=N][O][C@@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][=Branch2][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch2]
|
C6(=O)C1=NO[C@@]2(CCOC2)C1.n1%10ccc9n1.C18CC%11(O)C1.C59=O.CC%10.N58.C7%11.N67
|
O=C(Cc1ccsc1)NC1(CCCNC(=O)[C@H]2CCS(=O)(=O)C2)CC1
|
O=CCcccsc5))))))NCCCCNC=O)[C@H]CCS=O)=O)C5))))))))))CC3
|
[O][=C][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][N][C][Branch2][Ring1][=Branch1][C][C][C][N][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Ring1][S]
|
[C@H]17CCS(=O)(=O)C1.c19ccsc1.O=C3C9.C158CC1.C8CC6.C47=O.N35.N46
|
CN(C(=O)C[C@]1(C)C[C@H]1F)C1CCN(C(=O)c2scc(Cl)c2Cl)CC1
|
CNC=O)C[C@]C)C[C@H]3F))))))CCCNC=O)csccCl)c5Cl)))))))CC6
|
[C][N][Branch1][#C][C][=Branch1][C][=O][C][C@][Branch1][C][C][C][C@H1][Ring1][Ring2][F][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C][S][C][=C][Branch1][C][Cl][C][=Ring1][=Branch1][Cl][C][C][Ring1][#C]
|
C15CCN4CC1.c16scc(Cl)c1Cl.[C@@]17(C)C[C@H]1F.C3(=O)C7.CN35.C46=O
|
CCC(F)(F)C(=O)N[C@@H](C)Cc1ccc(CNC(=O)[C@@H](O)C(F)F)cc1
|
CCCF)F)C=O)N[C@@H]C)CccccCNC=O)[C@@H]O)CF)F))))))cc6
|
[C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][Branch1][C][F][F][C][=C][Ring1][#C]
|
CCC(F)(F)C2=O.c16ccc7cc1.C3(=O)[C@@H](O)C(F)F.[C@H]4(C)C6.N24.C57.N35
|
CCC(CC)C(=O)NCC(=O)N1CCCC[C@@H]1CNC(=O)[C@]1(C)CC=C(C)CC1
|
CCCCC))C=O)NCC=O)NCCCC[C@@H]6CNC=O)[C@]C)CC=CC)CC6
|
[C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][=C][Branch1][C][C][C][C][Ring1][Branch2]
|
[C@@]17(C)CC=C(C)CC1.CCC(CC)C2=O.N13CCCC[C@@H]18.C5C3=O.C47=O.N25.C68.N46
|
COC[C@H](C)C(=O)N[C@H](C)[C@@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1
|
COC[C@H]C)C=O)N[C@H]C)[C@@H]CCNC=O)cn[nH]cC)c5C)))))))C5
|
[C][O][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][Ring1][=C]
|
c17n[nH]c(C)c1C.C5[C@H](C)C3=O.[C@@H]18CCN4C1.[C@H]68C.C47=O.CO5.N36
|
O=C(NC12CC(C1)N(C(=O)c1ccc3cnccc3c1)C2)[C@H]1CCC(F)(F)C1
|
O=CNCCCC4)NC=O)cccccnccc6c%10)))))))))))C5))))))[C@H]CCCF)F)C5
|
[O][=C][Branch2][Ring2][Ring2][N][C][C][C][Branch1][Ring2][C][Ring1][Ring2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][Ring2][Ring1][C][C@H1][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1]
|
c18ccc2cnccc2c1.C126CC(C1)N5C2.[C@H]17CCC(F)(F)C1.O=C47.C58=O.N46
|
COC(=O)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1cnn(C)c1
|
COC=O)CNCC=O)NCCN[C@@H]C#N))CC)C)))CC6))))))))CccnnC)c5
|
[C][O][C][=Branch1][C][=O][C][N][Branch2][Ring1][#Branch2][C][C][=Branch1][C][=O][N][C][C][N][Branch1][O][C@@H1][Branch1][Ring1][C][#N][C][Branch1][C][C][C][C][C][Ring1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1]
|
N13CCN6CC1.[C@H]6(C#N)C(C)C.c18cnn(C)c1.C2(=O)C4.C5C3=O.N457.CO2.C78
|
CN(C)C1CN(c2ccc(NC(=O)C(=O)NC[C@@H]3CCCC(C)(C)C3)cn2)C1
|
CNC)CCNccccNC=O)C=O)NC[C@@H]CCCCC)C)C6)))))))))))cn6))))))C4
|
[C][N][Branch1][C][C][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]
|
[C@@H]1%10CCCC(C)(C)C1.c17ccc8cn1.C19CN7C1.C4(=O)C5=O.CN9C.N48.N56.C6%10
|
Cc1c(C(=O)N2[C@H]3CCC[C@H]2CN(C(=O)[C@H]2C[C@@H](C)CC(=O)N2)C3)ccn1C
|
CccC=O)N[C@H]CCC[C@H]6CNC=O)[C@H]C[C@@H]C)CC=O)N6)))))))C8))))))))))ccn5C
|
[C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Ring1][=Branch1][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][C][C@@H1][Branch1][C][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][Ring2][Ring1][C][C][=C][N][Ring2][Ring1][#Branch2][C]
|
N14[C@H]2CCC[C@H]1CN5C2.[C@H]16C[C@@H](C)CC(=O)N1.Cc1c7ccn1C.C47=O.C56=O
|
C[C@@H]1CC(=O)N[C@@H]1C(=O)NCCOCCN(C)C(=O)c1noc2c1COCC2
|
C[C@@H]CC=O)N[C@@H]5C=O)NCCOCCNC)C=O)cnocc5COCC6
|
[C][C@@H1][C][C][=Branch1][C][=O][N][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=N][O][C][=C][Ring1][Branch1][C][O][C][C][Ring1][=Branch1]
|
c1%10noc2c1COCC2.C[C@@H]1CC(=O)N[C@@H]19.C39=O.C7C5.C6C8.N48C.C4%10=O.N37.O56
|
CC(=O)c1cc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)[C@@H](CO)NC(N)=O)C2)no1
|
CC=O)cccC=O)N[C@H]C)[C@H]CCCNC=O)[C@@H]CO))NCN)=O)))))C6)))))))))no5
|
[C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][Branch1][Ring1][C][O][N][C][Branch1][C][N][=O][C][Ring1][#C][=N][O][Ring2][Ring1][=Branch2]
|
[C@H]1%10CCCN4C1.c18cc9no1.C4(=O)[C@H]7CO.CC8=O.C39=O.[C@H]6%10C.C5(N)=O.N36.N57
|
CC[C@@H](CNC(=O)c1ccc(OC)cc1F)NC(=O)[C@@H](C)n1ccc(Br)n1
|
CC[C@@H]CNC=O)ccccOC))cc6F))))))))))NC=O)[C@@H]C)ncccBr)n5
|
[C][C][C@@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][F][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][N][C][=C][C][Branch1][C][Br][=N][Ring1][=Branch1]
|
c17ccc4cc1F.n18ccc(Br)n1.CC[C@H]5C6.C3(=O)[C@H]8C.C27=O.N26.O4C.N35
|
CCCC[C@@H](CC)CNC(=O)C1(NC(=O)c2cnncc2O)CC(F)(F)C1
|
CCCC[C@@H]CC))CNC=O)CNC=O)ccnncc6O)))))))))CCF)F)C4
|
[C][C][C][C][C@@H1][Branch1][Ring1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][N][=N][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][S]
|
CCCC[C@H](C5)CC.C167CC(F)(F)C1.c18cnncc1O.C37=O.C48=O.N35.N46
|
C[C@@H]1C[C@H](N2CCN(C(=O)NCCC(=O)NC3CCCC3)CC2)CCN1C
|
C[C@@H]C[C@H]NCCNC=O)NCCC=O)NCCCCC5)))))))))))CC6))))))CCN6C
|
[C][C@@H1][C][C@H1][Branch2][Ring1][S][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring2][Ring1][Ring1][C][C][N][Ring2][Ring1][=Branch2][C]
|
C[C@@H]1C[C@H]8CCN1C.N18CCN4CC1.C7CC6=O.C19CCCC1.C45=O.N57.N69
|
CSCc1cccc(C(=O)NCCCCNC(=O)C[C@@H]2C[C@H](C)CC(C)(C)C2)c1
|
CSCcccccC=O)NCCCCNC=O)C[C@@H]C[C@H]C)CCC)C)C6)))))))))))))))c6
|
[C][S][C][C][=C][C][=C][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][C@@H1][C][C@H1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch2][=C][Ring2][Ring1][#Branch2]
|
[C@@H]19C[C@H](C)CC(C)(C)C1.c1%10cccc8c1.C5CCC6.C4(=O)C9.C38=O.CS7.C7%10.N35.N46
|
Cc1cc(=N[C@@H](C)c2ccnn2C)[nH]c(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1
|
Cccc=N[C@@H]C)cccnn5C))))))))[nH]cN[C@@H]C)ccccC)c[N+]=O)[O-]))c6))))))))n6
|
[C][C][=C][C][=Branch1][=C][=N][C@@H1][Branch1][C][C][C][=C][C][=N][N][Ring1][Branch1][C][NH1][C][Branch2][Ring1][Branch2][N][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=N][Ring2][Ring1][N]
|
Cc1cc(=N[C@H]5C)[nH]c4n1.c16ccc(C)c([N+](=O)[O-])c1.c15ccnn1C.[C@@H]36C.N34
|
COC(OC)C(=O)N1CCN(C(=O)c2c(Cl)ccc(F)c2Cl)C[C@@H]1C#N
|
COCOC))C=O)NCCNC=O)ccCl)cccF)c6Cl))))))))C[C@@H]6C#N
|
[C][O][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][Cl][C][C@@H1][Ring1][P][C][#N]
|
N13CCN4C[C@@H]1C#N.c17c(Cl)ccc(F)c1Cl.C56C3=O.C47=O.CO5.O6C
|
CC(C)COc1ncccc1C(=O)N[C@@H]1CC(F)(F)C[C@@H]1NC(=O)C1(CO)CC1
|
CCC)COcncccc6C=O)N[C@@H]CCF)F)C[C@@H]5NC=O)CCO))CC3
|
[C][C][Branch1][C][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][Branch1][C][F][Branch1][C][F][C][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][C][C][Ring1][Branch1]
|
[C@@H]16CC(F)(F)C[C@@H]17.c15ncccc19.CC(C)C4.C18%10CC1.C29=O.C38=O.O45.N26.N37.C%10O
|
CC(C)(C)[C@@H](CO)C(=O)NC1(CNC(=O)C2CC3(CCC3)C2)CCC(F)(F)CC1
|
CCC)C)[C@@H]CO))C=O)NCCNC=O)CCCCCC4)))C4)))))))CCCF)F)CC6
|
[C][C][Branch1][C][C][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][#Branch1][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring2][Ring1][Ring1]
|
CC(C)(C)[C@@H](CO)C4=O.C169CCC(F)(F)CC1.C18CC2(CCC2)C1.C58=O.N46.C79.N57
|
CC(C)(C(=O)NCCOC1CN(C(=O)c2occc2Br)C1)c1ccc(Cl)cc1
|
CCC)C=O)NCCOCCNC=O)coccc5Br)))))))C4)))))))))ccccCl)cc6
|
[C][C][Branch1][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][Br][C][Ring1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]
|
c19ccc(Cl)cc1.CC9(C)C3=O.c18occc1Br.C16CN4C1.C7C5.C48=O.N37.O56
|
CCO[C@@H](C(=O)N1CCCC[C@H](NC(=O)Cc2cnn(C)n2)C1)C1CC1
|
CCO[C@@H]C=O)NCCCC[C@H]NC=O)CccnnC)n5))))))))C7))))))))CCC3
|
[C][C][O][C@@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C][C][C][=N][N][Branch1][C][C][N][=Ring1][=Branch1][C][Ring1][P][C][C][C][Ring1][Ring1]
|
N13CCCC[C@H]7C1.c18cnn(C)n1.[C@@H]69C3=O.C4(=O)C8.C19CC1.CC5.O56.N47
|
Cc1coc(C(=O)N2C[C@H](C(=O)N[C@@H](CO)C3CCCC3)CC(C)(C)C2)c1
|
CccocC=O)NC[C@H]C=O)N[C@@H]CO))CCCCC5))))))))CCC)C)C6)))))))c5
|
[C][C][=C][O][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][C][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][C][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch2]
|
N14C[C@H]8CC(C)(C)C1.Cc1coc7c1.C19CCCC1.[C@@H]69CO.C47=O.C58=O.N56
|
CSc1cscc1C(=O)NC1CCC2(CC1)CN(C(=O)CNC(=O)[C@H]1C[C@@H]1C)C2
|
CSccscc5C=O)NCCCCCC6))CNC=O)CNC=O)[C@H]C[C@@H]3C))))))))C4
|
[C][S][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C@@H1][Ring1][Ring1][C][C][Ring1][S]
|
C17CCC2(CC1)CN4C2.c1%10cscc19.C4(=O)C6.[C@H]18C[C@@H]1C.C39=O.C58=O.CS%10.N37.N56
|
CC[C@H](CNC(=O)[C@@H](O)CC(F)(F)F)NC(=O)C(C)(C)CCSC
|
CC[C@H]CNC=O)[C@@H]O)CCF)F)F)))))))NC=O)CC)C)CCSC
|
[C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][C][Branch1][C][F][Branch1][C][F][F][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][S][C]
|
C1(=O)[C@@H](O)CC(F)(F)F.C2(=O)C(C)(C)CC5.CC[C@@H]3C4.N14.N23.S5C
|
C#Cc1ccc(C(=O)N2CC[C@](F)(CNC(=O)[C@H]3C[C@H](SC)C3)C2)c(F)c1Cl
|
C#CccccC=O)NCC[C@]F)CNC=O)[C@H]C[C@H]SC))C4)))))))C5))))))cF)c6Cl
|
[C][#C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][F][Branch1][P][C][N][C][=Branch1][C][=O][C@H1][C][C@H1][Branch1][Ring1][S][C][C][Ring1][=Branch1][C][Ring1][S][C][Branch1][C][F][=C][Ring2][Ring1][=Branch2][Cl]
|
C#Cc1ccc8c(F)c1Cl.N14CC[C@@]9(F)C1.[C@H]17C[C@H]%10C1.C48=O.C57=O.C69.N56.S%10C
|
CC[C@@H](CNC(=O)c1ccn(C)c1C1CCC1)NC(=O)C=Cc1ccsc1
|
CC[C@@H]CNC=O)cccnC)c5CCCC4))))))))))))NC=O)C=Ccccsc5
|
[C][C][C@@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][C][C][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][C][=C][S][C][=Ring1][Branch1]
|
c16ccn(C)c18.C=7c1ccsc1.CC[C@H]4C5.C18CCC1.C3(=O)C=7.C26=O.N25.N34
|
C#CC[C@H](CC(=O)NC1([C@H]2CCCO2)CC1)NC(=O)c1cncnc1CC
|
C#CC[C@H]CC=O)NC[C@H]CCCO5)))))CC3))))))NC=O)ccncnc6CC
|
[C][#C][C][C@H1][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][N][=C][Ring1][=Branch1][C][C]
|
C#CC[C@@H]5CC3=O.c17cncnc18.[C@H]19CCCO1.C169CC1.C47=O.N36.N45.C8C
|
CC(C)c1ncsc1C(=O)N[C@H](C)C[C@@H](C)NC(=O)c1onc2c1CCCC2
|
CCC)cncsc5C=O)N[C@H]C)C[C@@H]C)NC=O)concc5CCCC6
|
[C][C][Branch1][C][C][C][N][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][N][=C][C][=Ring1][Branch1][C][C][C][C][Ring1][=Branch1]
|
c18onc2c1CCCC2.c19ncsc17.[C@@H]5(C)C[C@H]6C.CC9C.C37=O.C48=O.N35.N46
|
CCCC[C@H](NC(N)=O)C(=O)N1CC2(CN(C(=O)CC3CC(C)(C)C3)CCO2)C1
|
CCCC[C@H]NCN)=O)))C=O)NCCCNC=O)CCCCC)C)C4))))))CCO6)))))C4
|
[C][C][C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][C][Branch1][C][C][Branch1][C][C][C][Ring1][=Branch1][C][C][O][Ring1][#C][C][Ring2][Ring1][C]
|
N15CC2(C1)CN6CCO2.CCCC[C@H]7C5=O.C18CC(C)(C)C1.C6(=O)C8.C4(N)=O.N47
|
CC1=C[C@H](C(=O)N2CCN(C(=O)C3CC(Cl)(Cl)C3)[C@@H](CCO)C2)SC1
|
CC=C[C@H]C=O)NCCNC=O)CCCCl)Cl)C4)))))[C@@H]CCO)))C6)))))))SC5
|
[C][C][=C][C@H1][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=Branch1][C][=O][C][C][C][Branch1][C][Cl][Branch1][C][Cl][C][Ring1][=Branch1][C@@H1][Branch1][Ring2][C][C][O][C][Ring1][P][S][C][Ring2][Ring1][Branch2]
|
N14CCN5[C@@H]8C1.CC1=C[C@H]6SC1.C17CC(Cl)(Cl)C1.C46=O.C57=O.C8CO
|
COCCNC(=NCCCNc1ncccn1)N1CC[C@@H](n2cc(C)cn2)C1
|
COCCNC=NCCCNcncccn6)))))))))))NCC[C@@H]nccC)cn5)))))C5
|
[C][O][C][C][N][C][=Branch1][=C][=N][C][C][C][N][C][=N][C][=C][C][=N][Ring1][=Branch1][N][C][C][C@@H1][Branch1][O][N][C][=C][Branch1][C][C][C][=N][Ring1][=Branch1][C][Ring1][O]
|
N4C(=NCCC5)N1CC[C@@H]7C1.c16ncccn1.n17cc(C)cn1.C3C4.CO3.N56
|
Cc1ccc2oc(C(=O)N[C@H]3CCN(C(=O)C=Cc4cccs4)C3(C)C)cc2n1
|
CccccocC=O)N[C@H]CCNC=O)C=Cccccs5))))))))C5C)C))))))))cc5n9
|
[C][C][=C][C][=C][O][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][=C][Branch1][C][C][C][=C][C][Ring2][Ring1][Branch2][=N][Ring2][Ring1][N]
|
Cc1ccc2oc8cc2n1.[C@H]17CCN6C1(C)C.C=9c1cccs1.C6(=O)C=9.C58=O.N57
|
C[C@H](CC1CN(C(=O)C23CC(c4ccccc4)(C2)C3)C1)NC(=O)[C@@H]1CC1(F)F
|
C[C@H]CCCNC=O)CCCcccccc6))))))C4)C4)))))C4)))))NC=O)[C@@H]CC3F)F
|
[C][C@H1][Branch2][Ring2][Ring2][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][Ring2][C][Ring1][#Branch2][C][Ring1][O][C][Ring1][P][N][C][=Branch1][C][=O][C@@H1][C][C][Ring1][Ring1][Branch1][C][F][F]
|
C128CC%11(C1)C2.c1%11ccccc1.C1%10CN5C1.[C@@H]19CC1(F)F.C[C@@H]7C%10.C58=O.C69=O.N67
|
CSC[C@@H](O)C(=O)N1CC[C@H](CNC(=O)c2cc(Cl)ccc2-n2cnnn2)C1
|
CSC[C@@H]O)C=O)NCC[C@H]CNC=O)cccCl)ccc6-ncnnn5))))))))))))))C5
|
[C][S][C][C@@H1][Branch1][C][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][C][=N][N][=N][Ring1][Branch1][C][Ring2][Ring1][Branch1]
|
c17cc(Cl)ccc19.C6[C@@H](O)C3=O.N13CC[C@H]8C1.n19cnnn1.C47=O.CS6.C58.N45
|
CCC(C)(C)CC(=O)N1CC[C@@H](C2(NC(=O)Cc3[nH]cnc3C)CC2)C1
|
CCCC)C)CC=O)NCC[C@@H]CNC=O)Cc[nH]cnc5C)))))))))CC3)))C5
|
[C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][C][C][NH1][C][=N][C][=Ring1][Branch1][C][C][C][Ring1][=N][C][Ring2][Ring1][C]
|
N14CC[C@@H](C26CC2)C1.CCC(C)(C)CC4=O.c17[nH]cnc1C.C5(=O)C7.N56
|
O=C(C[C@@H]1CCCCC1(F)F)N1CC[C@@H](Cc2cccc(O)c2)C1
|
O=CC[C@@H]CCCCC6F)F))))))))NCC[C@@H]CcccccO)c6)))))))C5
|
[O][=C][Branch1][=C][C][C@@H1][C][C][C][C][C][Ring1][=Branch1][Branch1][C][F][F][N][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N]
|
[C@@H]14CCCCC1(F)F.c16cccc(O)c1.N13CC[C@@H]5C1.O=C3C4.C56
|
C#C[C@H]1CCCN(C(=O)[C@@H]2[C@H](CNC(=O)c3cc(OC)cs3)C2(C)C)C1
|
C#C[C@H]CCCNC=O)[C@@H][C@H]CNC=O)cccOC))cs5))))))))C3C)C)))))C6
|
[C][#C][C@H1][C][C][C][N][Branch2][Ring2][C][C][=Branch1][C][=O][C@@H1][C@H1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][S][Ring1][#Branch1][C][Ring1][=C][Branch1][C][C][C][C][Ring2][Ring1][Branch2]
|
C#C[C@H]1CCCN4C1.[C@@H]19[C@H]%10C1(C)C.c18cc6cs1.C49=O.C58=O.C7%10.N57.O6C
|
Cc1csc2ncc(C(=O)N3CC(C)(NC(=O)C4=NNC(=O)CC4)C3)c(=O)n12
|
CccscnccC=O)NCCC)NC=O)C=NNC=O)CC6))))))))C4)))))c=O)n96
|
[C][C][=C][S][C][=N][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=N][N][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][Ring1][#C][C][=Branch1][C][=O][N][Ring2][Ring1][O][Ring2][Ring1][Branch2]
|
Cc1csc2ncc8c(=O)n12.C6(=O)C1=NNC(=O)CC1.N15CC7(C)C1.C58=O.N67
|
Cc1[nH]nc(C(=O)N[C@H](C(=O)NCCc2cnn[nH]2)c2cccnc2)c1Cl
|
Cc[nH]ncC=O)N[C@H]C=O)NCCccnn[nH]5)))))))))ccccnc6)))))))))c5Cl
|
[C][C][NH1][N][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][=C][N][=N][NH1][Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][Cl]
|
Cc1[nH]nc7c1Cl.c19cccnc1.[C@H]59C4=O.c18cnn[nH]1.C37=O.C6C8.N35.N46
|
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.