260 SMILES Strings for RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D]

Compound Name
SMILES String
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)C#Cc1ccncc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)C#Cc1cccnc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)C(=O)Nc1ccncc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(NC(=O)c2cccnc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(NCc2ccncc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(NCc2cccnc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccccc1-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1nc(cs1)-c1ccncc1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1nc(cs1)-c1cccnc1)Cc1ccccc1 |r|
N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(Nc2ccncc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(Nc2cccnc2)c1)Cc1ccccc1 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
N[C@H](COc1cncc(NC(=O)c2ccncc2)c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
Cc1c(cc(C#N)c(=O)n1C)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)C#N)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(F)cc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)N(=O)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(N)cc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)C(O)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)C(N)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)C(N)=N)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)C(=N)NO)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)S(N)(=O)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cccc(c1)S(N)(=O)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cccc(CC(N)=O)c1)Cc1c[nH]c2ccccc12 |r|
CC(=O)Nc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
CC(=O)Nc1cccc(c1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
CC(=O)NCc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
CS(=O)(=O)Nc1ccc(cc1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc(cc1)-c1nnn[nH]1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(NC(=O)Nc2ccccc2)nc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(Nc2ccnc(N)n2)cc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(Nc2ncccn2)cc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cccc(Nc2ncccn2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cccc(Nc2nccs2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc(N)c(c1)C(=O)c1cccc(Cl)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cccc2c(cccc12)C(N)=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc2ccc(cc2c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc2ccc(cc2c1)-c1cccnc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc2nc(ccc12)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
C[C@H](N)COc1cnc(Cl)c(\C=C\c2ccncc2)c1 |r|
NCCOc1cncc(\C=C\c2ccncc2)c1
NCCCOc1cncc(\C=C\c2ccncc2)c1
CC(C)[C@H](N)COc1cncc(\C=C\c2ccncc2)c1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(O)=O |r|
C(Oc1cncc(\C=C\c2ccncc2)c1)[C@@H]1CCN1 |r|
C(Oc1cncc(\C=C\c2ccncc2)c1)[C@@H]1CCCN1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(c1ccccc1)c1ccccc1 |r|
N[C@@H](CCc1ccccc1)COc1cncc(\C=C\c2ccncc2)c1 |r|
N[C@@H](COCc1ccccc1)COc1cncc(\C=C\c2ccncc2)c1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)C(=O)Nc1ccc2ccccc2c1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc(O)c1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc(c1)C#N |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1cccc2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1ccc2ccccc2c1 |r|
N[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1csc2ccccc12 |r|
N[C@@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cc(\C=C\c2ccncc2)cnc1Cl)Cc1c[nH]c2ccccc12 |r|
Cn1cc(C[C@H](N)COc2cncc(\C=C\c3ccncc3)c2)c2ccccc12 |r|
CN(C)[C@H](COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
OC(COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
C(COc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12
N[C@H](CCc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](CNc1cnc(Cl)c(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](CNc1cnc(Cl)c(\C=C\c2ccncc2)c1)CC1CNc2ccccc12 |r|
N[C@H](CNc1cncc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cncc(C=Cc2ccncc2)c1 |r,w:17.18|
N[C@@H](Cc1ccccc1)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
N[C@@H](Cc1cccc2ccccc12)C(=O)Nc1cncc(\C=C\c2ccncc2)c1 |r|
Brc1ccc(\C=C\CNCCOc2cncc(\C=C\c3ccncc3)c2)cc1
NCC(c1ccccc1)c1cncc(\C=C\c2ccncc2)c1
Cn1cc(C(CN)c2cncc(\C=C\c3ccncc3)c2)c2ccccc12
N[C@H](COc1cncc(\C=C\c2ccccc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cccc(\C=C\c2ccncc2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cc(\C=C\c2ccncc2)ccn1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cccc(\C=C\c2ccncc2)n1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnccc1\C=C\c1ccncc1)Cc1ccccc1 |r|
N[C@H](COc1ccc(\C=C\c2ccncc2)cn1)Cc1ccccc1 |r|
COc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(Oc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(Sc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(SCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(N)c2)c1)Cc1c[nH]c2ccccc12 |r|
CNc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
CCNc1cc(\C=C\c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)ccn1 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(\C=C\c2ccnc(c2)-n2ccc3ccccc23)c1)Cc1c[nH]c2ccccc12 |r|
Cn1cc(C[C@H](N)COc2cncc(c2)-c2ccc3cnccc3c2)c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1n[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1csc2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccc2ccccc2c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1cnc2ccccc2c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1ccncc1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)CC1CCCCC1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)[nH]c3ccccc23)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2csc3ccccc23)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3ccccc3c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3ccccc23)c1 |r|
COc1ccc2ccccc2c1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cnc3ccccc3c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccncc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CC2CCCCC2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)c2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OCC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OCCC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)CCCc2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(NC[C@@H](N)Cc2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(SC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@H](N)Cc2ccccc2)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccco3)c2c1)Cc1c[nH]c2ccccc12 |r|
Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C\c3ccco3)c2c1)Cc1ccccc1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cccc2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(F)c2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cc(F)cc2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2Cl)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)cc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2Br)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Br)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(I)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(Cl)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(F)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(Cl)c2Cl)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Cl)c(Cl)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(Cl)cc(Cl)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)cc2F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)c(F)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(F)cc(F)cc2Br)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(F)ccc2C)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(Br)c(C)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(C)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)cc2C)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(C)c(F)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c(C)cc(C)cc2C)c1 |r|
COc1ccc(F)cc1C[C@H](N)COc1cncc(c1)-c1ccc2[nH]nc(C)c2c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(cc2)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(F)c(c2)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(F)cc(c2)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cc(ccc2F)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(c(F)c2)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(cc2F)C(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2OC(F)(F)F)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OC(F)(F)F)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc(OC(F)(F)F)cc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)-c2ccccc2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3OCOc3c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc3OC(F)(F)Oc23)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccc3OC(F)(F)C(F)(F)Oc3c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCN3CCOCC3)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCC3CCNCC3)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCC3CCNCC3)c2)c1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCC3CCCCC3)c2)c1 |r|
CN1CCC(COc2cccc(C[C@H](N)COc3cncc(c3)-c3ccc4[nH]nc(C)c4c3)c2)CC1 |r|
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(OCCN)c2)c1 |r|
N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1cccc(c1)C(F)(F)F |r|
Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(c2)C(F)(F)F)c1 |r|
Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2cccc(F)c2F)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]ncc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(Cl)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]nc(c2c1)C(F)(F)F)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1[N+]([O-])=O)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cc1N)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cc1N)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2cn[nH]c2cn1)Cc1ccccc1 |r|
Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
N[C@H](COc1cncc(c1)-c1cc2c(Cl)n[nH]c2cn1)Cc1ccccc1 |r|
Cc1n[nH]c2c[n+]([O-])c(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
N[C@H](COc1cncc(c1)-c1cc2c(C=C)n[nH]c2cn1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccco1)Cc1ccccc1 |r|
Cn1cccc1-c1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
N[C@H](COc1cncc(c1)-c1cc2c(n[nH]c2cn1)-c1ccccc1)Cc1ccccc1 |r|
N[C@H](COc1cncc(c1)-c1cc2ccncc2s1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cc2cnccc2s1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2nonc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2CC(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1cnc2NC(=O)Cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(=O)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(N=O)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)n(CC#N)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2n(CC#N)c(=O)[nH]c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)oc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2[nH]c(=O)sc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NS(=O)(=O)Nc2c1)Cc1c[nH]c2ccccc12 |r|
CC1(C)C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
CC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
CCC1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(Cc3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
CC(C)=C1C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r,wU:20.22,(-12.05,2.37,;-10.54,2.69,;-9.45,1.6,;-10.07,4.16,;-10.97,5.4,;-12.51,5.4,;-10.07,6.65,;-8.6,6.17,;-7.27,6.94,;-5.93,6.17,;-5.93,4.63,;-7.27,3.86,;-8.6,4.63,;-4.6,3.86,;-4.6,2.32,;-3.27,1.55,;-1.93,2.32,;-1.93,3.86,;-.6,4.63,;.73,3.86,;2.07,4.63,;2.07,6.17,;3.4,3.86,;4.74,4.63,;4.28,6.1,;5.53,6.99,;6.77,6.07,;8.28,6.37,;9.3,5.22,;8.8,3.76,;7.29,3.46,;6.28,4.61,;-3.27,4.63,)|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)C(F)(F)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CC3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccc3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc(Cl)cc3Cl)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccnc3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccccn3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ccc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/C3CCCN3)c2c1)Cc1c[nH]c2ccccc12 |r|
Cn1cccc1\C=C1/C(=O)Nc2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cc[nH]c3)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3c[nH]c4ccccc34)c2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3ncc[nH]3)c2c1)Cc1c[nH]c2ccccc12 |r|
CCc1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)c1C |r|
N[C@H](COc1cncc(c1)-c1ccc2NC(=O)\C(=C/c3cccs3)c2c1)Cc1c[nH]c2ccccc12 |r|
Cc1ccc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)o1 |r|
Cc1cc(\C=C2/C(=O)Nc3ccc(cc23)-c2cncc(OC[C@@H](N)Cc3c[nH]c4ccccc34)c2)oc1C |r|
N[C@H](COc1cnc(Cl)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(C#N)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(C=C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(-c2ccco2)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(C#C)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cnc(C#Cc2ccccc2)c(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cc(cnc1Cl)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12 |r|
Cc1c(OC[C@@H](N)Cc2c[nH]c3ccccc23)cncc1-c1ccc2cnccc2c1 |r|
N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1\C=C\C#N)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2c(F)nccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2c(cc[nH]c2=O)c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2c(Cl)nccc2c1)Cc1c[nH]c2ccccc12 |r|
COc1nccc2cc(ccc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2c(N)nccc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(F)cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(Cl)cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)C#N)Cc1c[nH]c2ccccc12 |r|
CCc1cc2cc(ccc2cn1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(C=C)cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccco1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccccc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)-c1ccncc1)Cc1c[nH]c2ccccc12 |r|
CC#Cc1cc2cc(ccc2cn1)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(cc2c1)C#Cc1ccccc1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnc(N)cc2c1)Cc1c[nH]c2ccccc12 |r|
N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1N)Cc1c[nH]c2ccccc12 |r|
Cc1cc(cc2ccncc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r|