408 SMILES Strings for Vascular endothelial growth factor A

Compound Name
SMILES String
O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12 |r|
c1cc2c(c(c1Oc3cc(cc(c3)F)C#N)C(F)F)[C@H](C(S2(=O)=O)(F)F)O
Fc1cc(Cl)cc(Oc2ccc3c(CCS3(=O)=O)c2Br)c1
Fc1cc(Cl)cc(Oc2ccc3c(CCS3(=O)=O)c2C#N)c1
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Br)c12
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12
Fc1cc(Cl)cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2Br)c1
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C#N)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Cl)S(=O)(=O)C1(F)F
NC1c2cc(Oc3cc(F)cc(Cl)c3)ccc2S(=O)(=O)C1(F)F
Cc1c2C(O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(Cl)c1
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)(F)F)S(=O)(=O)C1(F)F
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c12
OC1c2cc(Oc3cc(F)cc(Cl)c3)ccc2S(=O)(=O)C1(F)F
NC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C(F)F)c12
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)S(=O)(=O)C1(F)F
NC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F
NC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F
OC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
NC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
FC(F)c1c2C(=N)C(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C(F)F)c12
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
NC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=N)(=O)C1(F)F
COCCNC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
O[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cncc(Cl)c3)c2C(F)F)S(=O)(=O)C1(F)F
COCCNC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cncc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
N[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
FC(F)c1c2C(=O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
N[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2CF)S(=O)(=O)C1(F)F
OC1C(F)S(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12
Cc1cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2C(F)F)cc(c1)C#N
Cc1cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2C(F)F)cc(c1)C#N |r|
Fc1cc(Oc2ccc3c(C(=O)C(F)(F)S3(=O)=O)c2Br)cc(c1)C#N
OC1CS(=O)(=NC#N)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
OC1CS(=N)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=NC#N)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=N)(=O)C1(F)F
OC1c2c(ccc(OC3CCOCC3)c2C(F)F)S(=O)(=O)C1(F)F
N[C@@H]1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)S(=O)(=O)C1(F)F |r|
OC1CCS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C(F)F)c12
O[C@@H]1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F |r|
Fc1cc(Cl)cc(Oc2ccc3c(C(=O)C4(CC4)S3(=O)=O)c2Br)c1
O[C@H]1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S(=O)(=O)C1(F)F
CC1(C)C(O)c2c(ccc(Oc3cc(F)cc(Cl)c3)c2Br)S1(=O)=O
O[C@@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(C#N)c12
CC1(C)C(O)c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C#N)S1(=O)=O
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#C)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#CCF)S(=O)(=O)C1(F)F
OC1c2c(ccc(OCc3ccccc3)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2Cl)S(=O)(=NC#N)C1(F)F
O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12
O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12
O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(Br)c12
O[C@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12
Fc1cc(F)cc(Oc2ccc3c(c2)C(=O)CS3(=O)=O)c1
OC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12
O[C@H]1CS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(Br)c12
O[C@H]1CS(=O)(=O)c2ccc(Oc3cncc(c3)C#N)c(Br)c12
O[C@@H]1c2c(ccc(Oc3cncc(Cl)c3)c2Br)S(=O)(=O)C1(F)F |r|
O[C@H]1CS(=O)(=O)c2ccc(Oc3cccc(F)c3)c(C#N)c12
O[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2Br)S(=O)(=O)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3cncc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
CC1(O)c2cc(Oc3cc(F)cc(F)c3)ccc2S(=O)(=O)C1(F)F
COc1cc(F)cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
COc1cc(F)cc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2C#N)c1
Cc1cncc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
COc1cncc(Oc2ccc3c([C@@H](O)C(F)(F)S3(=O)=O)c2Br)c1
O[C@@H]1c2c(ccc(Oc3cccc(c3)C#N)c2Br)S(=O)(=O)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2Cl)S(=O)(=O)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3cncc(Cl)c3)c2Cl)S(=O)(=O)C1(F)F
COc1c2C(O)C(F)(F)S(=O)(=O)c2ccc1Oc1cc(F)cc(c1)C#N
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2F)S(=O)(=O)C1(F)F
O[C@@H]1c2c(ccc(Oc3cccc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3ccc(F)c(F)c3)c2C(F)F)S(=O)(=O)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3ccc(F)c(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
CCOc1ccc2c([C@@H](O)C(F)(F)S2(=O)=O)c1C(F)F
O[C@@H]1c2c(ccc(OCC3CC3)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cccc4sccc34)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cccc4cn[nH]c34)c2C(F)F)S(=O)(=O)C1(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C#N)S(=O)(=O)C1(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(F)c3)c2Br)S(=O)(=O)C1(F)F
OC1(c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S(=O)(=O)C1(F)F)C(F)(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(F)c3)c2C#N)S(=O)(=O)C1(F)F
OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(Br)c12)C(F)(F)F
OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(F)c3)c(C#N)c12)C(F)(F)F
OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(Br)c12)C(F)(F)F
OC1(CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12)C(F)(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
C[C@H]1C(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S1(=O)=O |r|
C[C@@H]1C(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)S1(=O)=O |r|
OC1CS(=O)(=O)c2ccc(OCC3(CC3)C#N)c(C(F)F)c12
OC1c2c(ccc(OCC3(CC3)C#N)c2C(F)F)S(=O)(=O)C1(F)F
CC(C)Oc1ccc2c(c1C#N)C(C)(O)C(F)(F)S2(=O)=O
C[C@]1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F |r|
C[C@@]1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F |r|
CC1(O)c2c(ccc(OCc3ccccc3)c2C#N)S(=O)(=O)C1(F)F
OC1(C=C)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
CC1(O)c2c(ccc(OC3CC(F)(F)C3)c2C#N)S(=O)(=O)C1(F)F
N[C@@H]1c2c(ccc(Oc3cc(F)cc(Br)c3)c2Br)S(=O)(=O)C1(F)F |r|
NC1CS(=O)(=O)c2ccc(Oc3cc(F)cc(c3)C#N)c(C#N)c12
NC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)S(=O)(=O)C1(F)F
CO[C@](C(=O)O[C@@H]1CS(=O)(=O)c2ccc(Oc3cc(F)cc(Cl)c3)c(Br)c12)(c1ccccc1)C(F)(F)F |r|
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(Cl)cc1
COC(=O)CNC(=O)c2ncc(c1ccc(C#N)cc1)cc2O
Cc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
Cc1ccc(cc1)-c1ccc(C(=O)NCC(O)=O)c(O)c1
COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(C)cc1
COC(=O)CNC(=O)c1ncc(cc1O)-c1ccccc1Cl
OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)C#N
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
CC(C)c1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(F)cc1
CC(C)Oc1ccc(cc1)-c1cnc(C(=O)NCC(O)=O)c(O)c1
Cc1ccc(Cl)cc1-c1cnc(C(=O)NCC(O)=O)c(O)c1
CNC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(Cl)c1
COC(=O)CNC(=O)c2ncc(c1cccc(C#N)c1)cc2O
COC(=O)CNC(=O)c3ncc(c2cccc(c1nn[nH]n1)c2)cc3O
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)[N+]#[C-]
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(N)=O
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(=O)N1CCCC1
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C(=O)N1CCCC1
O=C(O)CNC(=O)c3ncc(c2cccc(c1nn[nH]n1)c2)cc3O
O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F |r|
O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)C(F)F |r|
OC1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2S(=O)(=O)C(F)F
OC1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)C(F)F
OC1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)F
c1cc(c2c(c1Oc3cc(cc(c3)F)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F)F
OC1CCc2c1c(ccc2Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)F
O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)F |r|
Cc1c(C#N)c(Oc2cc(F)cc(F)c2)ccc1S(=O)(=O)C(F)F
OCc1c(Cl)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)F
O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)C(F)(F)F |r|
O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(F)c1)S(=O)(=O)CF |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2S(=O)(=O)CF |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2C#N |r|
c1cc(c(c(c1Oc2cc(cc(c2)Cl)F)Br)CO)S(=O)(=O)C(F)F
OC1CCc2c1c(ccc2Oc1cc(F)cc(c1)C#N)S(=O)(=O)C(F)F
OCc1c(Br)c(Oc2cc(F)cc(c2)C#N)ccc1S(=O)(=O)C(F)F
Fc1cc(Cl)cc(Oc2ccc(c(C#N)c2Br)S(=O)(=O)C(F)(F)F)c1
FC(F)(F)S(=O)(=O)c1ccc(Oc2cccc(c2)C#N)c(Br)c1C#N
OCc1c(Br)c(Oc2cc(F)cc(Cl)c2)ccc1S(=O)(=O)C(F)(F)F
FC(F)c1cc(ccc1Oc1cc(F)cc(Cl)c1)S(=O)(=O)C(F)(F)F
FC(F)S(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c(Br)c1
FC(F)S(=O)(=O)c1ccc(Oc2cc(F)cc(Cl)c2)c(c1)C#N
O[C@@H]1CCc2c1c(ccc2Oc1cc(F)cc(c1)C#N)S(=O)(=O)C(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(Cl)c1)ccc2S(=O)(=O)C(F)F |r|
CS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)C(O)c12
CS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
CS(=O)(=O)c1ccc(c2c1[C@@H](C(C2)(F)F)O)Oc3cc(cc(c3)F)C#N
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](N)c12 |r|
Cc1cc(Oc2ccc(c3[C@H](O)C(F)(F)Cc23)S(=O)(=O)CF)cc(c1)C#N |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(Cl)cc(c1)C#N)ccc2S(=O)(=O)CF |r|
Fc1cc(Cl)cc(Oc2ccc(c(Cl)c2Br)S(=O)(=O)C(F)(F)F)c1
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cncc(Cl)c1)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)c(F)c(F)c1)ccc2S(=O)(=O)CF |r|
CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)C(O)c12
O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(F)c1)ccc2S(=O)(=O)C(F)F |r|
[O-][N+](=O)c1c(Cl)c(ccc1Oc1cc(F)cc(Cl)c1)C(F)(F)F
O[C@@H]1[C@H](F)Cc2c1c(ccc2Oc1cncc(c1)C#N)S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)cc1)ccc2S(=O)(=O)C(F)(F)F |r|
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2C[C@@H](F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1ccc(F)c(F)c1)ccc2S(=O)(=O)C(F)(F)F |r|
CS(=O)(=O)c1ccc(Oc2cc(Cl)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cncc(c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cccc(c1)C#N)ccc2S(=O)(=O)C(F)F |r|
CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
CNS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
NS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
CNS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
NS(=O)(=O)c1ccc(Oc2cc(F)cc(F)c2)c2CC(F)(F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(c[n+]([O-])c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=N)(=O)CF |r|
CS(=O)(=O)c1ccc(c2c1[C@@H]([C@@H]([C@@H]2F)F)O)Oc3cc(cc(c3)F)C#N
CS(=O)(=O)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2C(F)(F)F |r|
CS(=O)(=O)c1ccc(Oc2cc(F)cc(Br)c2)c2CC(F)(F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(c1)C#N)ccc2S(=N)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cncc(c1)C#N)ccc2C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cncc(F)c1)ccc2S(=O)(=O)C(F)(F)F |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)c[n+]([O-])c1)ccc2S(=O)(=O)C(F)(F)F |r|
CS(=O)(=O)c1ccc(Oc2cncc(c2)C#N)c2CC(F)(F)[C@@H](O)c12 |r|
CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
CS(=O)(=O)c1ccc(Oc2cncc(c2)C#N)c2[C@@H](F)C(F)(F)[C@@H](O)c12 |r|
O[C@H]1c2c(CC1(F)F)c(Oc1cc(F)cc(F)c1)ccc2C#N |r|
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)C#N
CC1CCC(CC1)NCc1ccn(Cc2ccccc2)c(=O)c1O |(8.08,,;6.54,,;5.78,-1.33,;4.23,-1.33,;3.47,,;4.23,1.33,;5.78,1.33,;1.93,,;1.15,1.33,;-.38,1.33,;-1.15,2.67,;-2.69,2.67,;-3.47,1.33,;-5,1.33,;-5.78,,;-7.31,,;-8.08,-1.33,;-7.31,-2.67,;-5.78,-2.67,;-5,-1.33,;-2.69,,;-3.47,-1.33,;-1.15,,;-.38,-1.33,)|
Oc1c(CNCCCn2ccnc2)ccn(Cc2ccccc2)c1=O
CC(NCc1ccn(Cc2ccccc2)c(=O)c1O)c1ccccc1
COC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O |r|
CSCCNCc1ccn(Cc2ccccc2)c(=O)c1O
Oc1c(CN2CCN(CC2)c2ccc(Cl)nn2)ccn(Cc2ccccc2)c1=O
Oc1c(CNC2CCCCNC2=O)ccn(Cc2ccccc2)c1=O
Oc1c(CN2CCN(Cc3ccccc3)CC2)ccn(Cc2ccccc2)c1=O
OCc1ccccc1Cn1ccc(CN2CCCCCC2)c(O)c1=O
Cc1ccc(cc1)S(=O)(=O)n1ccc(CN2CCC(CC2)N2CCCCC2)c(O)c1=O
Cc1ccc(cc1)S(=O)(=O)n1ccc(CN2CCN(CC2)c2ccc(Cl)nn2)c(O)c1=O
Oc1c(CNCc2ccccc2)ccn(Cc2ccc(Cl)cc2)c1=O
CC(C)(C)OC(=O)N1CCN(Cc2ccn(Cc3ccc(Cl)cc3)c(=O)c2O)CC1
CN(CC(O)=O)Cc1ccn(c(=O)c1O)S(=O)(=O)c1ccc(C)cc1
Oc1cccn(Cc2ccc(Cl)cc2)c1=O
Oc1cccn(Cc2cccc(Cl)c2)c1=O
COC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)[N+]#[C-]
OC(=O)CNC(=O)c1ncc(cc1O)-c1ccc(cc1)[N+]#[C-]
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)[N+]#[C-]
COC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nnn[nH]1
OC(=O)CNC(=O)c1ncc(cc1O)-c1cccc(c1)-c1nnn[nH]1
OCC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O |r|
c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CCCC3)C(=O)N)F)Br
O[C@H]1c2c(CC1(F)F)c(Oc1cc(c[n+](O)c1)C#N)ccc2S(=O)(=O)C(F)(F)F |r|
CS(=O)(=NC#N)c1ccc(Oc2cc(F)cc(c2)C#N)c2[C@H](F)C(F)(F)[C@H](O)c12 |r|
OC12CC(=C)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
OC12CC(F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
O[C@]12C[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
O[C@]12C[C@@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
OC12CC(F)c3c1c(ccc3Oc1cncc(F)c1)C(F)(F)C2(F)F
OC12CC3(CC3)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
CC1CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
CC1(O)CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
CC1(F)CC2(O)c3c(ccc(Oc4cc(F)cc(c4)C#N)c13)C(F)(F)C2(F)F
OC12CCc3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
NC12CC(F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F
Fc1cc(Oc2ccc3c4c2C(F)(F)CC4(F)C(F)(F)C3(F)F)cc(c1)C#N
OC12CC(F)c3ccc(Oc4cc(F)cc(c4)C#N)c(CC1(F)F)c23
O[C@]12CC(=C)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
O[C@]12[C@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
O[C@]12[C@@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)C(F)(F)C2(F)F |r|
OC12CC(F)c3c1c(ccc3Oc1cc(F)cc(Cl)c1)S(=N)(=O)C2(F)F
O[C@]12[C@@H](F)[C@H](F)c3c1c(ccc3Oc1cncc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@@]12[C@H](F)[C@@H](F)c3c1c(ccc3Oc1cncc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@]12[C@H](F)[C@H](F)c3c1c(ccc3Oc1cncc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@@]12[C@@H](F)[C@@H](F)c3c1c(ccc3Oc1cncc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@]12[C@@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@@]12[C@H](F)[C@@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@]12[C@H](F)[C@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)S(=O)(=O)C2(F)F |r|
O[C@@]12[C@@H](F)[C@@H](F)c3c1c(ccc3Oc1cc(F)cc(c1)C#N)S(=O)(=O)C2(F)F |r|
OC1C(F)c2c3C1C(F)(F)S(=O)(=O)c3ccc2Oc1cncc(c1)C#N
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F
O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F |r|
O[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F |r|
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F
NC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F
N[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F |r|
N[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F |r|
OC1c2c(ccc(Oc3cc(F)cc(F)c3)c2C(F)F)C(F)(F)C1(F)F
Cc1cc(Oc2ccc3c(C(O)C(F)(F)C3(F)F)c2C(F)F)cc(c1)C#N
OC1c2c(ccc(Oc3cc(Cl)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(Cl)c3)c2C(F)F)C(F)(F)C1(F)F
OC1c2c(ccc(OC3CC(F)(F)C3)c2C(F)F)C(F)(F)C1(F)F
OC1c2c(ccc(Oc3cncc(c3)C#N)c2C(F)F)C(F)(F)C1(F)F
OC1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
O[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F |r|
O[C@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F |r|
O[C@@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)C(F)(F)C1(F)F |r|
O[C@H]1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)C(F)(F)C1(F)F |r|
OC1c2c(ccc(Oc3cncc(F)c3)c2C#N)C(F)(F)C1(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C#N)C(F)(F)C1(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2Br)C(F)(F)C1(F)F
CC1(O)c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C=C)C(F)(F)C1(F)F
CCc1c2c(ccc1Oc1cc(F)cc(c1)C#N)C(F)(F)C(F)(F)C2(C)O
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)C1(F)F
OC1c2c(ccc(Oc3cc(F)cc(c3)C#N)c2C(F)F)C(F)(F)C1(F)Cl
O[C@@H]1[C@H](F)C(F)(F)c2ccc(Oc3cc(F)cc(c3)C#N)c(C(F)F)c12 |r|
O[C@H]1[C@H](F)C(F)(F)c2ccc(Oc3cc(F)cc(c3)C#N)c(C(F)F)c12 |r|
N#CC1=C(F)C(F)=CC(N2C=C(C(F)(F)F)C3C2CCC(F)(F)C3O)C1
OC1C2C(C(F)(F)F)=CN(c3ccc(F)c(CF)c3)C2CCC1(F)F
N#Cc1ccc(N2C=C(C(F)(F)F)C3C2CCC(F)(F)[C@H]3O)cc1C(F)F
N#CC1=C(F)C=CC(N2C=C(S(=O)(=O)C(F)F)C3C2CCC(F)(F)[C@H]3O)C1
CS(=O)(=O)C1=CN(C2=CC(C(F)F)C(F)C=C2)C2CCC(F)(F)[C@@H](O)C12
O=S(=O)(C1=CN(C2=CC(C(F)F)C(F)C=C2)C2CCC(F)(F)[C@@H](O)C12)C(F)F
N#CC1=C(F)C=CC(N2C=C(C(F)(F)C(F)(F)F)C3C2CCC(F)(F)C3O)C1
N#CC1=C(F)C=CC(N2C=C(S(=O)(=O)C(F)(F)F)C3C2CCC(F)(F)[C@H]3O)C1
N#CC1=C(F)C=CC(N2C=C(S(=O)(=O)CF)C3C2CCC(F)(F)[C@H]3O)C1
O=S(=O)(C1=CN(C2=CC(C(F)F)C(F)C=C2)C2CCC(F)(F)[C@@H](O)C12)C(F)(F)F
N#CCS(=O)(=O)C1=CN(c2ccc(F)c(C(F)(F)F)c2)C2CCC(F)(F)[C@@H](O)C12
O=S(=O)(CF)C1=CN(C2=CC(C(F)F)C(F)C=C2)C2CCC(F)(F)[C@@H](O)C12
N#CC1C=C(N2C=C(C(F)(F)C(N)=O)C3C2CCC(F)(F)C3O)C=CC1F
CCS(=O)(=O)C1=CN(c2ccc(F)c(C(F)(F)F)c2)C2CCC(F)(F)[C@@H](O)C12
N#CC1=C(F)C=CC(N2C=C(C(F)(F)C#N)C3C2CCC(F)(F)C3O)C1
CS(=O)(=NC#N)c1cn(C2C=CC(F)=C(C#N)C2)c2c1[C@@H](O)C(F)(F)CC2
N#CCS(=O)(=O)C1=CN(C2=CC(C(F)F)C(F)C=C2)C2CCC(F)(F)[C@@H](O)C12
CS(=O)(=O)c3cn(c1ccc(F)c(C(F)(F)F)c1)c2CCC(F)(F)[C@@H](O)c23
O=S(=O)(c2cn(c1ccc(F)c(C(F)(F)F)c1)c3CCC(F)(F)[C@@H](O)c23)C(F)F
N#Cc1cc(-n2c(F)c(S(=O)(=O)C(F)F)c3c2CCC(F)(F)[C@H]3O)ccc1F
O=S(=O)(c2cn(c1ccc(F)c(C(F)(F)F)c1)c3CCC(F)(F)[C@@H](O)c23)C(F)(F)F
CS(=O)(=O)c1cn(-c2ccc(F)c(Cl)c2)c2c1C(O)C(F)(F)CC2
O=S(=O)(c1cn(-c2ccc(F)c(Cl)c2)c2c1C(O)C(F)(F)CC2)C(F)F
O=S(=O)(c2cn(c1ccc(F)c(C(F)F)c1)c3CCC(F)(F)[C@H](O)c23)C(F)F
N#Cc1cc(-n2cc(S(C)(=O)=O)c3c2CCC(F)(F)[C@H]3O)ccc1Cl
N#Cc1cc(-n2cc(S(=O)(=O)C(F)F)c3c2CCC(F)(F)[C@H]3O)ccc1Cl
N#Cc1ccc(-n2cc(S(C)(=O)=O)c3c2CCC(F)(F)[C@H]3O)cc1C(F)F
O=S(=O)(CF)c2cn(c1ccc(F)c(C(F)(F)F)c1)c3CCC(F)(F)[C@@H](O)c23
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C
O=S(=O)(c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)CCC2)C(F)F
O=S(=O)(c1cn(-c2ccc(F)c(Cl)c2)c2c1[C@H](O)C(F)(F)CC2)C(F)(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)CF)c3c2CCC(F)(F)[C@H]3O)cc1C
O=S(=O)(CF)c1cn(-c2ccc(F)c(Cl)c2)c2c1[C@H](O)C(F)(F)CC2
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C#N
N#Cc1cc(-n2cc(S(=O)(=O)C(F)(F)F)c3c2CCC(F)(F)[C@H]3O)ccc1Cl
N#Cc1ccc(-n2cc(C(F)(F)C(F)(F)F)c3c2CCC(F)(F)C3O)cc1C(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C#N
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)CF)c3c2CCC(F)(F)[C@H]3O)cc1C(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)CF)c3c2CCC(F)(F)[C@H]3O)cc1C#N
N#Cc1ccc(-n2cc(C(F)(F)C(F)(F)F)c3c2CCC(F)(F)[C@H]3O)cc1C#N
N#CC(F)S(=O)(=O)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
CCOC(=O)C(F)(F)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
N#CC(F)(F)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
O[C@H]1c2c(-c3nccs3)cn(-c3ccc(F)c(C(F)F)c3)c2CCC1(F)F
O=S(=O)(c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)CCC2)C(F)(F)F
CC(C#N)S(=O)(=O)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
N#CC1(S(=O)(=O)c2cn(-c3ccc(F)c(C(F)F)c3)c3c2[C@H](O)C(F)(F)CC3)CC1
CS(=O)(=NC#N)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
O=S(=O)(CF)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@@H](O)C(F)(F)CC2
NC(=O)c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)C(F)(F)CC2
O=S(=O)(c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)[C@H](F)CC2)C(F)F
O=S(=O)(c1cn(-c2ccc(F)c(C(F)F)c2)c2c1[C@H](O)[C@@H](F)CC2)C(F)F
N#Cc1ccc(-n2cc(S(=O)(=O)C(F)(F)F)c3c2CCC[C@H]3O)cc1C(F)F
O[C@H]1c2c(C(F)(F)F)cn(-c3ccc(F)cc3F)c2CCC1(F)F
N#Cc1ccc(-n2cc(C(F)(F)F)c3c2COC(F)C3O)cc1C#N
N#Cc1cc(-n2c(F)c(-c3cccs3)c3c2CCC(F)(F)C3O)ccc1F
N#Cc1ccc(-n2cc(C(F)(F)F)c3c2CCC(F)C3O)cc1C(F)F
OC[C@H]1O[C@H](NC(=O)COc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@H](O[C@H]4[C@H](O)[C@@H](CO)O[C@H](O[C@H]5[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]5OCc5ccccc5)[C@H]4O)[C@H]3O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
OC[C@H]1O[C@H](NC(=O)CCCCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@@H]2O)[C@@H]1O
COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O |r|
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
CC[C@H](C)[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]2NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3ccccc3)NC2=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCCC[C@@H]2NC(=O)[C@@H](NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@@H]3NC(=O)[C@H](CCCCNC(=O)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC3=O)C(=O)N[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC2=O)NC(C)=O)[C@@H](C)CC)C(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc2cnc[nH]2)NC1=O)C(C)C)NC(C)=O
COc1ccc(\C=C/c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Fc1c(C(F)(F)F)ncc2c1SC[C@H](F)[C@@]21CN2C=C(C(F)(F)F)C(OC(F)F)=CC2=N1
FC(F)OC1=CC2=N[C@]3(C[C@H]4C[C@H]4c4c3ccnc4Cl)CN2C=C1C(F)(F)F
[O-]P([O-])(=O)OC[C@H]1O[C@H](O[C@H]2[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]3[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@H]4[C@H](OS([O-])(=O)=O)[C@@H](COS([O-])(=O)=O)O[C@H](O[C@@H]5[C@@H](OS([O-])(=O)=O)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@H]4OS([O-])(=O)=O)[C@H]3OS([O-])(=O)=O)[C@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCCCc1ccc(CO[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]2O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)cc1 |r|
CCCCCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCn2cc(nn2)-c2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCn2cc(nn2)-c2ccccc2)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCCCCCCCCCCCCn3cc(nn3)-c3ccccc3)O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCCCCCCCCCCCn2cc(nn2)-c2cccc3ccccc23)[C@@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]5OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1O[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]2O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@H]4O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]4OS([O-])(=O)=O)[C@@H]3OS([O-])(=O)=O)[C@@H]2OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
[O-]S(=O)(=O)OC[C@H]1O[C@H](OCCNC(=O)CNC(=O)Cc2cccc(Cl)c2)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(C(C)=O)c2ccccc2)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(Cc2ccccc2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(CCc2ccccc2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCCCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCCCC1CCC(CC1)N(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(C)=O |r,wU:16.16,27.28,21.22,wD:33.35,18.19,(14.12,3.67,;12.79,2.9,;12.78,1.36,;11.45,.59,;11.45,-.95,;10.12,-1.73,;10.12,-3.27,;11.45,-4.03,;12.78,-3.27,;12.77,-1.73,;11.45,-5.57,;10.12,-6.33,;8.78,-5.56,;8.79,-4.02,;7.45,-6.32,;6.12,-5.55,;4.78,-6.32,;4.78,-7.86,;3.45,-8.62,;3.45,-10.16,;4.79,-10.93,;2.12,-7.86,;.79,-8.63,;.79,-10.17,;-.54,-10.94,;2.33,-10.17,;1.55,-11.5,;2.12,-6.32,;.79,-5.55,;-.54,-6.32,;-1.88,-5.56,;-1.32,-7.65,;.22,-7.65,;3.45,-5.54,;3.45,-4,;2.12,-3.23,;.78,-4,;1.34,-1.89,;2.88,-1.89,;12.78,-6.34,;12.78,-7.88,;14.12,-5.57,)|
CO[C@H]1O[C@H](CNC(=O)CNC(=O)Cc2cccc(Cl)c2)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(CCOS([O-])(=O)=O)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCC([O-])=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCC([O-])=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCCCCCCOS([O-])(=O)=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)c1ccccc1 |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCc1ccccc1 |r|
CC(=O)N(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)c1ccccc1 |r|
CC(=O)N(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)Cc1ccccc1 |r|
CC(=O)N(CCc1ccccc1)CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCC([O-])=O |r|
CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCC([O-])=O |r|
CCN(CC(=O)NCCO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCCCCCCCCOS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CN=[N+]=[N-])[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](COS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CO[C@H]1O[C@H](CNC(=O)CN(C2CCCCCC2)C(C)=O)[C@@H](OS([O-])(=O)=O)[C@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)COS([O-])(=O)=O |r|
CCN(CC(=O)NC[C@H]1O[C@H](OC)[C@@H](OS([O-])(=O)=O)[C@@H](OS([O-])(=O)=O)[C@@H]1OS([O-])(=O)=O)C(=O)CCc1ccccc1 |r|
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
O[C@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)c(O)c1)c1ccc(O)c(O)c1 |r,THB:16:18:7.22.8:20,12:11:7.22.8:20|
O[C@H]1Cc2c(O)cc3O[C@@]4(Oc5cc(O)cc(O)c5[C@@H]([C@H]4O)c3c2O[C@@H]1c1ccc(O)cc1)c1ccc(O)c(O)c1 |r,TLB:16:18:20:8.7.22,12:11:20:8.7.22|
O[C@H]1Cc2c(O)cc(O)c([C@@H]3C[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)cc3)c2O[C@@H]1c1ccc(O)cc1 |r|
[H][C@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
[H][C@@]12CSC(C[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]3([H])CCCN3C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)CC1)C(C)(C)C)=N2 |r,c:61|
[H][C@]12CSC(=N1)C(C)(C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
[H][C@@]12CSC(=N1)[C@@H](C)[C@@H](O)C[C@H](C)C[C@H](OC(=O)[C@]1([H])CCCN1C(=O)[C@]([H])([C@@H](C)CC)N(C)C(=O)[C@H](C)N(C)C(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)CC2)C(C)(C)C |r,c:4|
[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NS([O-])(=O)=O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O
[H][C@]1(O[C@@H]2O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]3O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]4O[C@@H](C([O-])=O)[C@@]([H])(O[C@H]5O[C@H](COS([O-])(=O)=O)[C@@]([H])(O[C@@H]6O[C@H]([C@@H](O)[C@H](O)[C@H]6OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@H]4OS([O-])(=O)=O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2OS([O-])(=O)=O)[C@H](O)[C@@H](NC(C)=O)[C@@H](OCCCCC)O[C@@H]1COS([O-])(=O)=O
[H][C@]1(O[C@@H]2O[C@H]([C@@H](O)[C@H](O)[C@H]2OS([O-])(=O)=O)C([O-])=O)[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]2([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]3([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](O[C@@]4([H])[C@H](O)[C@@H](OS([O-])(=O)=O)[C@H](O[C@@]5([H])[C@H](O)[C@@H](NS([O-])(=O)=O)[C@@H](OCCCCCN)O[C@@H]5CO)O[C@H]4C([O-])=O)O[C@@H]3CO)O[C@H]2C([O-])=O)O[C@@H]1CO