880 SMILES Strings for Serine/threonine-protein kinase SIK2

Compound Name
SMILES String
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
CCOc1cc2c(cc1NC(=O)/C=C/CN(C)C)c(c(cn2)C#N)Nc3ccc(c(c3)Cl)F
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
[H][C@@]12C[C@@H]([C@H](OC)[C@@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |TLB:11:10:9:4.3.2,17:33:9:4.3.2,THB:24:32:9:4.3.2,5:4:9:10.31.33.32,30:31:9:4.3.2|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
Cc1cccc(c1NC(=O)N(c2ccc(cc2OC)OC)c3cc(ncn3)Nc4ccc(cc4)N5CCN(CC5)C)C
COc1ccc(N2C(=O)N(Cc3cnc(Nc4ccc(cc4)N4CCN(C)CC4)nc23)c2c(C)cccc2Cl)c(OC)c1
COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc12)c1c(C)cccc1Cl
COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC)C3CCN(C)CC3)nc12)c1c(C)cccc1Cl
CCOc1cc(ccc1Nc1ncc2CN(C(=O)N(c3ccc(OC)cn3)c2n1)c1c(C)cccc1Cl)C1CCN(C)CC1
COc1ccc(nc1)N1C(=O)N(Cc2cnc(Nc3ccc(cc3OC(C)C)C3CCN(C)CC3)nc12)c1c(C)cccc1C
Cc1ccnc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1cccnc1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Br)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cncc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1cncc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2cccnc2C)cc(n1)N1CCN(CCO)CC1
Cc1csc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nn(C)c(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1noc(C)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)nc(C)n1
Cc1nc(NCCO)cc(Nc2ncc(s2)C(=O)Nc2c(Cl)ccnc2C)n1
Cc5nc(Nc3ncc(C(=O)NC1CN2CCC1CC2)s3)cc(N4CCN(CCO)CC4)n5
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)nccc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2F)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)cc(n1)N1CCN(CCO)CC1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)(F)F)cc(n1)N1CCN(CCO)CC1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
CC1CN(CCN1C)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
CN1CCCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)nc(C)n1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(CF)csc2Cl)cc(n1)N1CCNC(=O)C1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)nc(C)n1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2F)nc(C)n1
CC1CN(CCN1C)c1cc(Nc2ncc(s2)C(=O)Nc2c(Cl)scc2C(F)F)nc(C)n1
Cc1scc(Cl)c1NC(=O)c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
Cc1nc(Nc2ncc(s2)C(=O)Nc2c(Cl)csc2Cl)cc(n1)N1CCN(CCO)CC1
CC(=O)N1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)csc2Cl)nc(C)n1
CN1CCN(CC1)c1cc(Nc2ncc(s2)C(=O)Nc2c(C)csc2Cl)nc(C)n1
Cc1cn(cn1)-c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CC5(CC(N)C5)C4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC5(CCN5)CC4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCC5(CCNC5)C4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CC(N)C4)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(N4CCCC4CN)c3n2)COC1
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(OC4CNC4)c3n2)COC1
CN1CCOCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
CN1CC(C1)Oc1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
COCCN1CCC11CCN(CC1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
CC1(COc2ccn3c(cnc3c2)-c2ccc3cccc(N4CCC(N)CC4)c3n2)COC1
NC1CCN(CC1)c1cccc2ncc(nc12)-n1cnc2cc(OCC3CS(=O)(=O)C3)ccc12
CN1CC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
CC1(COc2ccc3n(cnc3c2)-c2ccc3cccc(C4CCNC4)c3n2)COC1
CN1CCC(C1)c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
Cn1cnc(c1)-c1cccc2ccc(nc12)-n1cnc2cc(OCC3(C)COC3)ccc12
Cc1ccc(CNC(=O)c2ccn3c(cnc3c2)-c2ccc(cc2)C#N)cn1
O=C(NCc1ccnnc1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1cnccn1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2ccccc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
Cn1c(CNC(=O)c2ccn3c(cnc3c2)-c2ccc(cc2)C#N)nc2ccccc12
O=C(NCc1cn2ccccc2n1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2ccncc2[nH]1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2ccccc2o1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1ccco1)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
O=C(N1CCn2c(C1)nc1ccccc21)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
CN(Cc1nc2ccccc2n1C)C(=O)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
CN(Cc1ccc(C)nc1)C(=O)c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
COc1ccc(OC)c(c1)-c1cnc2cc(ccn12)C(=O)NCc1cccnc1
O=C(NCc1cccnc1)c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1cn2ccccc2n1)c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2ccccc2[nH]1)c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
O=C(NCc1nc2cccnc2[nH]1)c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
O=C(NCc1cccnc1)c1ccn2c(cnc2n1)-c1ccc(cc1)C#N
O=C(NCc1cccnc1)c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
CC1(COc2ccn3c(cnc3c2)-c2ccc(cc2)C#N)COC1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(OCC3(C)COC3)ccn12
COc1cc(cc(OC)c1C#N)-c1cnc2cc(OCC3(C)COC3)ccn12
Cc1ccc(CCOc2ccn3c(cnc3c2)-c2ccc(cc2)C#N)cn1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(OCc3ccc(C)nc3)ccn12
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-n1cnc2cc(ccc12)-c1cnn(c1)C1CC1
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(nc1)C#N
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(C#N)c(C)c1
N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-n1cnc(c1)C1CC1
N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
N#Cc1ccc(cc1)-c1cnc2cc(ccn12)-c1cnn(c1)C1COC1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCn1cc(cn1)-c1ccc2c(cnn2c1)-c1ccc(cc1)C#N
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnn2cc(ccc12)-c1cnn(c1)C1CC1
N#Cc1ccc(cc1)-c1cnn2cc(ccc12)-c1cnn(c1)C1CC1
CCc1nnc(o1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(c1)C1CC1
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)-c1nnc(C)o1
CCc1nnc(o1)-c1ccc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCc1nnc(o1)-c1c(F)cc(cc1F)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCc1nnc(o1)-c1c(Cl)cc(cc1Cl)-c1cnc2cc(ccn12)-c1cnn(C)c1
COc1cc(cc(OC)c1-c1nnc(o1)C1CC1)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCc1nc(no1)-c1c(OC)cc(cc1OC)-c1cnc2cc(ccn12)-c1cnn(C)c1
CCn1cc(cn1)-c1ccn2c(cnc2c1)-c1ccc(cc1)-c1noc(C)n1
CCn1cc(cn1)-c1cnc2c(cnn2c1)-c1ccc(cc1)C#N
N#Cc1ccc(cc1)-c1cnn2cc(cnc12)-c1cnn(c1)C1CC1
CCn1cc(cn1)-c1cnc2c(cnn2c1)-c1cc(OC)c(-c2cn(CC)nn2)c(OC)c1
N#Cc5ccc(c3cnn4cc(c2cnn(C1CC1)c2)ccc34)cc5
CCn1nnc(n1)-c1ccn2c(cnc2c1)-c1ccc(cc1)C#N
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)C(=O)NCc1ccc(C)nc1
COc1cccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n12
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(OC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CCC1CCC(N)(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1
CC[C@@H]1CC[C@@]([NH3+])(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1 |r|
CC[C@H]1CCC[C@@]1(N)COc1cc(cc(OC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CCC1CCCC1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12
CC[C@@H]1CCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CC[C@@H]1OCC[C@@]1(N)COc1cc(cc(SC)c1C#N)-c1cnc2cccc(OC)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCC(F)(F)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
COc1cccc2ncc(-c3cc(OC[C@@]4(N)CCC(F)(F)C4)c(C#N)c(SC)c3)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCCC(C)(C)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CC[C@@H]1CCC[C@](N)(COc2cc(cc(OC)c2C#N)-c2cnc3cccc(OC)n23)C1 |r|
CC[C@H]1CCC[C@@](N)(COc2cc(cc(SC)c2C#N)-c2cnc3cccc(C#N)n23)C1 |r|
COc1cc(cc(OC[C@]2(N)CCCC22CCCC2)c1C#N)-c1cnc2cccc(OC)n12 |r|
COc1cc(cc(OC[C@]2(N)CCCC(CC(F)(F)F)C2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCSC2)c1C#N)-c1cnc2ccccn12 |r|
COc1cccc2ncc(-c3cc(OC[C@@]4(N)CCOC4)c(C#N)c(SC)c3)n12 |r|
CSc1cc(cc(OC[C@@]2(N)CCC(F)(F)C2)c1C#N)-c1cnc2ccccn12 |r|
CSc1cc(cc(OC[C@]2(N)CCSC2)c1C#N)-c1cnc2cccc(C#N)n12 |r|
COc1cccc2ncc(-c3cc(OCC4(N)CCCCC4)c(C#N)c(SC)c3)n12
COc1cccc2ncc(-c3cc(OC[C@]4(N)CCCS4)c(C#N)c(SC)c3)n12 |r|
COCC1CCC[C@@](N)(COc2cc(cc(SC)c2C#N)-c2cnc3ccccn23)C1 |r|
COc1cc(cc(OC[C@]2(N)CCC[C@H]2CC2CC2)c1C#N)-c1cnc2cccc(OC)n12 |r|
CSc1cc(cc(OC[C@]2(N)CCC[C@@H](C2)C(F)(F)F)c1C#N)-c1cnc2ccccn12 |r|
CSc1cc(cc(OCC2(N)CCCCC2)c1C#N)-c1cnc2cccc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cccc(C#N)n12
CCOC(=O)c1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCC2)c(C#N)c(SC)c1
COc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(C)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cc(C)cc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2cc(Cl)cc(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N(C)C)c(C#N)n12
CCc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N3CCC3)c(C#N)n12
CSc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N3CCCC3)c(C#N)n12
COc1cc(cc(OCC2(N)CCCC2)c1C#N)-c1cnc2ccc(N(C)C)c(C#N)n12
COc1ccc2ncc(-c3cc(OCC4(N)CCCCC4)c(C#N)c(SC)c3)n2c1C#N
COc1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCC2)c(C#N)c(SC)c1
COc1cc(C#N)n2c(cnc2c1)-c1cc(OCC2(N)CCCCC2)c(C#N)c(SC)c1
COc1cc(C#N)n2c(cnc2c1)-c1cc(OC)c(C#N)c(OCC2(N)CCCCC2)c1
CNc1ccc2ncc(-c3cc(OCC4(N)CCCC4)c(C#N)c(SC)c3)n2c1C#N
C[C@H]1C[C@@H](CN1C)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC(C)(C)[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2NCC2(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN\C(=C(\O[C@@H]1CNC[C@@H]1OC)C=N)c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CNCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cncc(n3)C(F)(F)F)cc2c1 |r|
CN1CC(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
CN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@H]([C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)C(F)(F)F |r|
CC[C@@H]1CN(C)[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1CN(C)[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC2(CCOCC2)C1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(ccn2n1)-c1c(OC[C@H]2CCN2C)cnn1C |r|
C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(ccn2n1)-c1c(OC[C@H]2CCN2C)cnn1C |r|
CCN1CC2(CC2)[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)ncn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
C[C@@H]1CN(C)[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@H]3C[C@@H]3C)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)c3cnn(C)c3)cc2c1 |r|
Cn1ncc(OC[C@@H](O)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@@H]2CNCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COC1(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CN(C)C1
COC1(COc2noc(C)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)CNC1
Cc1onc(OC[C@@H](N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(O[C@@H]3CNC[C@@H]3F)cnn2C(F)F)nc(C)n1 |r|
CN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)c(=O)n(C)n3)cc2c1 |r|
CN1CC[C@@H](COc2cnn(C)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)C1=O |r|
CN1C[C@H](COc2cnn(C)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)CC1=O |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(cn3)C(=O)NCC(C)(C)C#N)cc2c1 |r|
COc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)cc(OC)c1C(=O)NC(C)C |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(C)nn3)cc2c1 |r|
CO[C@@H]1CNC[C@@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1[C@@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CN1C |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)nc(C)n1 |r|
Cn1ncc(O[C@H]2C[C@@H]3COC[C@H](C2)N3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OCC2(CNC2)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cc1cncc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)n1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
CCN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CC(C)N1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(nn3)C3CC3)cc2c1 |r|
CN1CC2(CC2)C1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CC(C)N1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCC1(C)COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)ncn3)cc2c1 |r|
CC(=O)N1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3nc(C)nc(C)c3C)cc2c1 |r|
CN1CC2(CCOCC2)[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC2(CCOCC2)[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC(F)(F)C1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3nnc(C)cc3C)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@@H]3C[C@H]3C)cc2c1 |r|
CCN1CC2(CC2)[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(C)nn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@H]3C[C@@H]3C(F)(F)F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
Cc1onc(O[C@@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COC1(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CNC1
Cc1onc(OCC2(CNC2)C#N)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cc1onc(OC[C@H]2CNCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCO[C@@H](COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
Cc1onc(O[C@H]2CNC[C@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@]23CN[C@H](CO2)C3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2CNC[C@@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OCC2(F)CNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC(F)(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
C[C@@H]1C[C@@H](CN1)Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@H]2CNCC(C)(C)O2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@H]1CNC[C@H]1Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@H]2NCC2(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1C[C@@H](CN1)Oc1noc(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1noc(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
Cc1onc(O[C@@H]2CNC[C@@H]2F)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
Cc1onc(O[C@@H]2CNC[C@@H]2F)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
CO[C@H]1CNC[C@H]1Oc1noc(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CO[C@H]1CNC[C@H]1Oc1noc(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
CO[C@H]1CNC[C@H]1Oc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
COc1nnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C(F)F)cc1C |r|
CN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3ccc(C)nn3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3OCC[C@@H]3O)cnn2C(F)F)nc(C)n1 |r|
COC1(COc2cnn(C(F)F)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)CCNC1
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OCC3(F)CCNC3)cnn2C(F)F)nc(C)n1
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cnn(C)c3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(cn3)C(=O)NCC(C)(C)O)cc2c1 |r|
COCCNC(=O)c1ccc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)nc1 |r|
CN(C)C(=O)c1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)nc(C)n1 |r|
CNC(=O)c1nc(C)cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)n1 |r|
CN(C)C(=O)c1nc(C)cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)n1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(cc(C)n3)C(=O)NCC(C)(C)O)cc2c1 |r|
CC(C)NC(=O)c1cc(C)nc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)cc(n3)C(=O)NCC(C)(C)O)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4COCCc4n3)cc2c1 |r|
COCCNC(=O)c1cnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)cn1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)-c3cccnc3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(cn3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(n3)C(F)(F)F)cc2c1 |r|
COc1nccc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)n1 |r|
CNC(=O)c1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)nc(C)n1 |r|
COc1nnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)cc1C |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(nc(C)n3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(ncn3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cn(C)nn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4cnccc4n3)cc2c1 |r|
CNC(=O)c1ccc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)nc1 |r|
COc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)ncn1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(NC4CC4)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(NC4CCCC4)n3)cc2c1 |r|
CCn1ncc(OC[C@H]2CCN2C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(cn3)C(=O)NCC(C)(C)O)cc2c1 |r|
CNC(=O)c1cnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)cn1 |r|
CN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(cn3)C(=O)NCCC#N)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c4CCCc4n3)cc2c1 |r|
CCc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H]3CCN3C)cnn2C)nc(C)n1 |r|
CN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
CN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)cnn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnn(C)c3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(=O)n(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C3CC3)cc2c1 |r|
CCc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)nc(C)n1 |r|
COc1nc(C)cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)n1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4nc(C)cn4n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4nccn4n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(C)(C)C)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c(=O)n(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(CC4CC4)n3)cc2c1 |r|
COc1cnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3C)cnn2C)cn1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(OC(F)F)cn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@H]3C[C@H]3c3ccccc3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(cn3)C(F)(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(n3)C(F)(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(nc(C)n3)C(F)(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccnc(OC)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(ncn3)C(F)(F)F)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ncc(C)c(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(OC)cn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(OC)ncn3)cc2c1 |r|
CCN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
CCN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(CC)nc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(=O)n(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C3CC3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(CC)nc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(OC)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4nc(C)cn4n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc4nccn4n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ncc(F)cn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(C)(C)C)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c(=O)n(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(CC4CC4)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(OC)cn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(OC(F)F)cn3)cc2c1 |r|
Cn1ncc(CO[C@@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@@H]2C[C@@H]3COC[C@H](C2)N3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(COC2CNCC2(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1[C@H]2COC[C@@H]1C[C@@H](C2)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,TLB:0:1:5.4.3:8.7.9|
Cn1ncc(COC2(CNC2)C(F)(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
C[C@@H]1NC[C@H]1OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@@H]2CNC[C@@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@@H]2CNCC2(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1[C@@H](CN1C)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(COC2(C)CNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC(C)(C1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CCC1(CNC1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
C[C@H]1CNC[C@H]1OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1CN(C)C[C@H]1OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1CNC[C@@H]1OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1CN(C)C[C@@H]1OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OCC2(CNC2)C(N)=O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cc1onc(OCC2(CNC2)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
COC1CNC[C@@H]1Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@@]23CN[C@@H](CO2)C3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@]2(COc3noc(C)c3-c3ccn4nc(NC(=O)C5CC5)cc4c3)C[C@H]1CO2 |r,TLB:0:1:30.29:27|
Cc1onc(OC[C@H](N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COC1(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CCNC1
COC1(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CCNCC1
CN(C)[C@H](COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccc1 |r|
Cc1onc(O[C@@H]2CNC[C@@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@@]1(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CCNC1 |r|
Cc1onc(O[C@H]2CNCC2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@@H]2CCNC[C@@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2C[C@H]3C[C@@H]2CN3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@H]2CCN2CC#N)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@H](COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)OC(C)(C)C1 |r|
Cc1onc(O[C@@H]2CCNC[C@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2C[C@@H]3C[C@H]2CN3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@@H]2CCNC3(CCC3)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@H](CC11CCC1)Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@@H](N)c2ccccc2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@H](N)c2ccccc2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN(C)[C@@H](COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccc1F |r|
Cc1onc(OCC(N)c2ccccn2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CNC(COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccn1
Cc1onc(OC[C@@](C)(N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN(C)[C@](C)(COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccn1 |r|
Cc1onc(O[C@@H]2CN[C@@H]3CCCO[C@H]23)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2CN[C@H]3CCCO[C@@H]23)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OCC2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(OCC2CNCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(OCC2(N)CCC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
C[C@@H]1C[C@@H](CN1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@]23CN[C@@H](CO2)C3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@H](N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(O[C@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H](N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1CNC[C@@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OCC2NCC22CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(OC[C@H]2CCN2CCF)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(O[C@@H]2CNC[C@@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COCCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CC(C)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2CC(C)(C)O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2CC2CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CC(=O)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H](O)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H](O)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2CC(C)(C)C#N)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1CC[C@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)N1C |r|
CN1C[C@@H](C[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccc1 |r|
CN1C[C@H](C[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccc1 |r|
Cn1ncc(OC[C@H]2CCN2C[C@H]2CCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
FC(F)n1ncc(OC[C@H]2CCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@]1(COc2cnn(C(F)F)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)CCNC1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@]3(F)CCNC3)cnn2C(F)F)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@]3(F)CCNC3)cnn2C(F)F)nc(C)n1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)ncn3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cccc(n3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3ccn4nccc4n3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc4CCCc4nn3)cc2c1 |r|
CC(C)c1nccc(Nc2cc3cc(ccn3n2)-c2c(O[C@H]3CCN(C)C3)cnn2C)n1 |r|
CC(C)c1cc(Nc2cc3cc(ccn3n2)-c2c(O[C@H]3CCN(C)C3)cnn2C)ncn1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)nc(n1)C(F)(F)F |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3CCF)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)nnc1C |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3CCF)cnn2C)nnc1C |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3CCF)cnn2C)ncn1 |r|
Cc1cncc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3CCF)cnn2C)n1 |r|
Cc1cnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3CCF)cnn2C)cn1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)c4COCCc4n3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3ccnc(n3)C3CC3)cc2c1 |r|
CN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
CN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ccc(nn3)C3CC3)cc2c1 |r|
CN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)ncn3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCCN1C)C=N)c1ccn2nc(Nc3ccnc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCCN1C)C=N)c1ccn2nc(Nc3ccc(C)nn3)cc2c1 |r|
CN\C(=C(\OCC12CC(C1)CN2)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |(-1.06,-5.96,;-1.06,-4.42,;.28,-3.65,;1.61,-4.42,;2.95,-3.65,;2.95,-2.11,;4.28,-1.34,;4.63,-2.84,;4.74,.06,;6.17,-.62,;3.6,1.09,;3.22,-.35,;1.61,-5.96,;2.95,-6.73,;.28,-2.11,;1.61,-1.34,;1.61,.2,;.28,.97,;-.04,2.48,;-1.57,2.64,;-2.34,3.97,;-1.57,5.31,;-.03,5.31,;.74,6.64,;2.28,6.64,;-.03,7.97,;-1.57,7.97,;-2.34,9.31,;-2.34,6.64,;-2.2,1.23,;-1.06,.2,;-1.06,-1.34,)|
CCN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCN1)C=N)c1ccn2nc(Nc3cncc(n3)-n3cccn3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCN1C[C@H](C)O)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CCN1CCC[C@@H]1CO\C(C=N)=C(\NC)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1CO\C(C=N)=C(\NC)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@@H]1CCO[C@@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCN1C[C@H](C)O)C=N)c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN\C(=C(\OC[C@H]1CCN1C[C@H](C)O)C=N)c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
CN\C(=C(\O[C@@H]1CCN[C@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@H]1COC2(CCCC2)O1)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\OC[C@H]1OCC[C@@H]1O)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CC([C@H](O)COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1)C1CC1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H](O)C3CCC3)cnn2C)nc(C)n1 |r|
C[C@H](O)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@](C)(O)C3CC3)cnn2C)nc(C)n1 |r|
C[C@H]1C[C@H](COc2cnn(C)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)N(C)C1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H](O)C34CC33CC3C4)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H]3COC(C)(C)C3)cnn2C)nc(C)n1 |r|
CN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(n3)C(F)(F)F)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OCC(N)C3(C)CC3)cnn2C)nc(C)n1
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OCC(N)C34CC33CC3C4)cnn2C)nc(C)n1
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(cn3)C(=O)OC)cc2c1 |r|
CCn1ncc(OCC2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC(C)(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
Cn1ncc(OC[C@H]2CCN2CC(F)(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC2CCNCC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CO[C@@H]1CN(C)C[C@@H]1Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COC1(COc2noc(C)c2-c2ccn3nc(Nc4cnccn4)cc3c2)CNC1
Cc1onc(OC[C@@H]2C[C@H](N)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:7.6,9.9,(6.85,3.26,;6.08,1.93,;6.95,.66,;6.02,-.56,;4.56,-.05,;3.3,-.93,;3.3,-2.47,;1.96,-3.24,;.63,-2.47,;-.14,-3.8,;-1.47,-4.57,;1.19,-4.57,;4.6,1.49,;3.27,2.26,;3.27,3.8,;1.93,4.57,;.6,3.8,;-.86,4.27,;-1.77,3.03,;-3.31,3.03,;-4.08,1.7,;-3.31,.36,;-5.62,1.7,;-6.95,2.47,;-6.95,.93,;-.86,1.78,;.6,2.26,;1.93,1.49,)|
Cc1onc(OC[C@H]2CCN2)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC(C)(C)[C@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1C[C@@H](CN1)Oc1noc(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN1CC[C@@H]1COc1noc(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN(C)[C@H](COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccc1F |r|
CN(C)[C@H](COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1)c1ccccn1 |r|
Cc1onc(OC[C@](C)(N)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@@H]2CN[C@@H](C2)C(F)F)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
Cc1onc(OC[C@@H](N)C2CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1snc(O[C@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1snc(OC[C@H]2CNCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCO[C@@H](COc2nsc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
CN1CCO[C@@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
Cn1ncc(OC[C@H]2C[C@H](N)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:7.6,wD:9.9,(6.53,3.71,;6.06,2.24,;6.96,1,;6.06,-.25,;4.59,.23,;3.35,-.68,;3.35,-2.22,;2.01,-2.99,;1.61,-4.48,;.13,-4.08,;-1.21,-4.85,;.53,-2.59,;4.59,1.77,;3.26,2.54,;3.26,4.08,;1.93,4.85,;.59,4.08,;-.87,4.55,;-1.78,3.31,;-3.32,3.31,;-4.09,1.97,;-3.32,.64,;-5.63,1.97,;-6.96,2.74,;-6.96,1.2,;-.87,2.06,;.59,2.54,;1.93,1.77,)|
Cn1ncc(O[C@@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@@H]1C[C@@H](CN1C)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1[C@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CN1C |r|
C[C@H]1C[C@@H](CN1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3ccc(cn3)C(F)(F)F)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(ccn3)C(F)(F)F)cc2c1 |r|
C[C@H]1CN[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc4ccccc4nn3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cnc4ccccc4n3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cc4ccccn4n3)cc2c1 |r|
Cn1ncc(OC[C@H]2CNC[C@@H]2O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2C2CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@H](N)C(C)(C)C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCCN2CCF)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@H]1CNC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(O[C@H]3C[C@H]4CC[C@@H]3O4)cnn2C)nc(C)n1 |r|
Cn1ncc(OC[C@H]2CCN2C[C@@H]2CCCO2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1[C@@H](CCN1C)Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1C1CCC2CC(CC2C1)Nc1cc(C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H](O)C3(C)CC3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H](O)C3(C)CC3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H]3CC4(CCC4)CO3)cnn2C)nc(C)n1 |r|
CCN1CC[C@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)c(C)n3)cc2c1 |r|
Cn1ncc(COC2CNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC(C1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC[C@H](C1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@H]2CCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN\C(=C(\CO[C@@H]1CN(C)C[C@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\CO[C@H]1CN(C)C[C@@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\CO[C@H]1CN(C)C[C@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\CO[C@@H]1CN(C)C[C@@H]1C)C=N)c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CN\C(=C(\CO[C@H]1CN(C)C[C@H]1C)C=N)c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
CN\C(=C(\CO[C@@H]1CN(C)C[C@H]1C)C=N)c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN\C(=C(\CO[C@H]1CN(C)C[C@@H]1C)C=N)c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN\C(=C(\CO[C@H]1CN(C)C[C@@H]1C)C=N)c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
C[C@@H]1CN(C)C[C@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
C[C@@H]1CN(C)C[C@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
C[C@@H]1CN(C)C[C@@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
C[C@H]1CN(C)C[C@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
C[C@H]1CN(C)C[C@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3cnc(cn3)C(C)(C)C)cc2c1 |r|
CN1CC[C@@H](C1)Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@@H]2CCCNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@H]2C[C@H](N)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:8.8,wD:6.5,(6.64,3.7,;5.87,2.37,;6.78,1.12,;5.87,-.13,;4.41,.35,;3.07,-.42,;3.07,-1.96,;1.98,-3.05,;3.07,-4.14,;3.07,-5.68,;4.16,-3.05,;4.41,1.89,;3.07,2.66,;3.47,4.15,;2.38,5.24,;.9,4.84,;-.4,5.68,;-1.59,4.71,;-3.13,4.71,;-3.9,3.37,;-3.13,2.04,;-5.44,3.37,;-6.78,4.14,;-6.78,2.6,;-1.04,3.27,;.5,3.35,;1.59,2.26,)|
Cc1onc(OC[C@H]2C[C@H](N)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:9.9,wD:7.6,(6.64,3.16,;5.87,1.82,;6.78,.58,;5.87,-.67,;4.41,-.19,;3.07,-.96,;3.07,-2.5,;1.74,-3.27,;.25,-2.88,;-.15,-4.36,;-1.48,-5.13,;1.34,-4.76,;4.41,1.35,;3.07,2.12,;3.47,3.6,;2.38,4.69,;.9,4.29,;-.4,5.13,;-1.59,4.16,;-3.13,4.16,;-3.9,2.83,;-3.13,1.5,;-5.44,2.83,;-6.78,3.6,;-6.78,2.06,;-1.04,2.73,;.5,2.81,;1.59,1.72,)|
CN1CCC[C@@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(O[C@@H]2CN[C@@H](C2)C(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COC[C@@H]1C[C@@H](CN1)Oc1noc(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
COC[C@@H]1C[C@@H](CN1C)Oc1noc(C)c1-c1ccn2nc(Nc3cc(C)c(C)nn3)cc2c1 |r|
Cc1ccc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)nn1 |r|
Cc1cnc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3CCN3)cnn2C)cn1 |r|
Cn1ncc(OC[C@H]2CCN2)c1-c1ccn2nc(Nc3ccc(nn3)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(Nc3ncc(F)cn3)cc2c1 |r|
CN1CC[C@@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
Cn1ncc(OC2CNC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CCn1ncc(OC[C@@H]2CCN(C)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC(C1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(OC[C@@H]2C[C@H](N)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:7.6,9.9,(6.29,3.7,;5.97,2.19,;7,1.04,;6.23,-.29,;4.72,.03,;3.58,-1,;3.58,-2.54,;2.24,-3.31,;.91,-2.54,;.14,-3.87,;-1.35,-4.52,;1.47,-4.64,;4.56,1.56,;3.22,2.33,;3.22,3.87,;1.89,4.64,;.56,3.87,;-.91,4.35,;-1.81,3.1,;-3.35,3.1,;-4.12,1.77,;-3.35,.44,;-5.66,1.77,;-7,2.54,;-7,1,;-.91,1.86,;.56,2.33,;1.89,1.56,)|
Cn1ncc(OC[C@@H](O)C(F)(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OCC2(N)COC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
Cn1ncc(OC[C@H](O)c2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(O[C@@H]2CC[C@H](O)CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r,wU:6.5,9.9,(6.29,4.95,;5.97,3.45,;7,2.3,;6.23,.97,;4.72,1.29,;3.58,.26,;3.58,-1.28,;2.24,-2.05,;2.24,-3.59,;3.58,-4.36,;3.58,-5.9,;4.91,-3.59,;4.91,-2.05,;4.56,2.82,;3.22,3.59,;3.22,5.13,;1.89,5.9,;.56,5.13,;-.91,5.61,;-1.81,4.36,;-3.35,4.36,;-4.12,3.03,;-3.35,1.69,;-5.66,3.03,;-7,3.8,;-7,2.26,;-.91,3.12,;.56,3.59,;1.89,2.82,)|
CN1CC(F)(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
COC1(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CN(C)C1
Cn1ncc(OC2CCNCC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CCC1(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CN(C)C1
CO[C@@H]1CN(C)C[C@@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)(C1)c1ccccc1
CO[C@H]1CN(C)C[C@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@H]2CCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1CNC[C@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(O[C@@H]2CNC[C@H]2O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@H](F)[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@H]2CNC[C@H]2O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@@H](O)[C@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
C[C@@H]1CN(C)C[C@@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCN1CCC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@H]1CNC[C@@H]1Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@@H]1CNC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@@H]1CN(C)C[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CO[C@H]1CN(C)C[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2CC#N)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@@H](N)C(C)(C)O)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COCCN1CCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2Cc2ccccc2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ccc(CN2CC[C@@H]2COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)n1 |r|
Cn1ncc(OC[C@H]2CCN2CCOC(F)(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@H]2C[C@H]2[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2CC2COC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CNC1(COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)CC1
COC(C)(C)CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OC[C@H]2CCN2c2ccccn2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
C[C@H]1CN(C)[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H]3C[C@H](O)C3)cnn2C)nc(C)n1 |r,wU:20.22,wD:18.19,(-2.86,-2.39,;-3.63,-1.06,;-2.86,.27,;-3.63,1.61,;-2.86,2.94,;-1.32,2.94,;-.42,1.7,;1.05,2.17,;2.38,1.4,;3.71,2.17,;3.71,3.71,;2.38,4.48,;1.05,3.71,;-.42,4.19,;5.05,1.4,;5.21,-.13,;3.87,-.9,;3.87,-2.44,;2.51,-3.15,;1.17,-2.38,;.4,-3.71,;-1.08,-4.11,;1.74,-4.48,;6.71,-.45,;7.48,.88,;6.45,2.03,;6.77,3.53,;-5.17,1.61,;-5.94,.27,;-7.48,.27,;-5.17,-1.06,)|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@]3(O)CCOC3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@]3(C)CCOC3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(O[C@H]3C[C@@H]4CC[C@H]3O4)cnn2C)nc(C)n1 |r|
C[C@H]1NCC[C@@H]1Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H]3CC4(CCCC4)CO3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@H](O)C3CCC3)cnn2C)nc(C)n1 |r|
C[C@H]1COC[C@H]1Oc1cnn(C)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
C[C@@H]1CN[C@@H](COc2cnn(C)c2-c2ccn3nc(Nc4cc(C)nc(C)n4)cc3c2)C1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@]3(C)CCCO3)cnn2C)nc(C)n1 |r|
Cc1cc(Nc2cc3cc(ccn3n2)-c2c(OC[C@@H]3CC[C@@H]3O)cnn2C)nc(C)n1 |r|
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccn2nc(Nc3ccncn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cnccn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccc(C)nc3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccccn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cnc(cn3)C(F)(F)F)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccncn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccnc(C)n3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cc(cnn3)C(F)(F)F)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccnc(n3)C(F)(F)F)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cc(ncn3)C(F)(F)F)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cnc4n(C)ccc4c3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3cc(COC)ncn3)cc2c1 |r|
CN\C(=C(\O[C@H]1CCN(C)C1)C=N)c1ccn2nc(Nc3ccc(nn3)C3CC3)cc2c1 |r|
CN\C(=C(\OCC1CCNCC1)C=N)c1ccn2nc(NC(=O)C3CC3)cc2c1
CN\C(=C(\CO[C@H]1CCN(C)C1)C=N)c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@H]2CNCC2(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(CO[C@@H]2CNC[C@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@@H](F)[C@@H](C1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CCC1(CN(C)C1)OCc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
C[C@H]1CN(C)C[C@@H]1OCc1cnn(C)c1-c1ccn2nc(Nc3cnc(C)cn3)cc2c1 |r|
CN1CC[C@@H](C1)Oc1cnn(C(F)F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
O=C(Nc1cc2cc(ccn2n1)-c1[nH]ncc1OC1CCCC1)C1CC1
CN1CC[C@@H](C1)Oc1cnn(C)c1-c1ccc2nc(NC(=O)C3CC3)cn2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1C1=C\C(NC=C1)=C\C(=N)NC(=O)[C@@H]1C[C@@H]1C#N |r,c:19,t:15|
CCN1CC[C@@H]1COc1cnn(C)c1-c1ccc2nc(Nc3cc(C)nc(C)n3)cn2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3ccnc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)ncn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)nc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3ccc(C)nn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3ccnc(OC)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cncc(C)n3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)c(OC)nn3)cc2c1 |r|
CCN1CC[C@@H]1COc1cnn(C(F)F)c1-c1ccn2nc(Nc3cc(C)c(=O)n(C)n3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccc2nc(Nc3cc(C)nc(C)n3)cn2c1 |r|
Cc1oncc1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CCO[C@H](COc2cnn(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
CN1CC[C@H](C1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](COc2cnn(CC3CC3)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
CCCn1ncc(OC[C@@H]2CCN(C)C2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H](COc2cnn(Cc3ccccc3)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1 |r|
CN1CCC(CC1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CCC(CC1)Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC(C1)Oc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CC(COc2noc(C)c2-c2ccn3nc(NC(=O)C4CC4)cc3c2)C1
Cc1onc(OC[C@H]2COCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cc1onc(OC[C@@H]2COCCN2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1C[C@@H](F)[C@H](C1)Oc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCC[C@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCCC[C@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCCC[C@@H]1COc1noc(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CC[C@@H]1COc1cnn(C)c1-c1ccn2nc(N)cc2c1 |r|
Cn1ncc(O[C@H]2CNC[C@H]2F)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
CN1CCCC[C@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
Cn1ncc(OCC2(N)CC2)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1
CN1CCCC[C@@H]1COc1cnn(C)c1-c1ccn2nc(NC(=O)C3CC3)cc2c1 |r|
COc1cc2ncn(-c3ccc(C(N)=O)c(Oc4ccccc4Cl)n3)c2cc1OC
COc4cc3ncn(c2ccc(C(N)=O)c(Nc1ccccc1)n2)c3cc4OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCc4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4ccsc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCCc4ccccc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCC4CC=CS4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCc4ccc(Cl)cc4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NCCC4=CC(Cl)CC=C4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CN)c4cccc(Cl)c4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CCN)c4cccc(Cl)c4)n3)c2cc1OC
COc1cc2ncn(-c3ccc(C(N)=O)c(NC(CN)c4ccsc4)n3)c2cc1OC
COC(=O)c1ccc(-n2cnc3cc(OC)c(OC)cc32)nc1C1=CC(Cl)CC=C1
CC(=O)c1ccc(-n2cnc3cc(Nc4ccc(C)nn4)ncc32)nc1-n1nc(C#N)cc1C
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)nn1
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)n4)c3cn2)cn1
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-c5cn(CC(F)(F)F)nc5C)n4)c3cn2)nn1
CC(=O)c1ccc(-n2cnc3cc(N(C)c4ccc(C)nn4)ncc32)nc1-n1nc(C#N)cc1C
CC(=O)c1ccc(-n2cnc3cc(N4CCOc5cc(C)nnc54)ncc32)nc1-n1nc(C#N)cc1C
Cc1ccc(Nc2cc3ncn(-c4ccc(C(C)O)c(-n5nc(C(F)F)cc5C)n4)c3cn2)nn1
Cc1ccc(Nc2cnc3c(c2)ncn3-c2ccc(C(C)O)c(-n3nc(C#N)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)c4)cnn3c2)nn1
Cc1cc(C(F)F)nn1-c1cc(-n2cnc3cc(Nc4cccnn4)cnc32)ccc1C(C)O
COc1nc2c(cc1Nc1nnc(C)cc1C(=O)N(C)C)ncn2-c1ccc(C#N)c(-n2nc(OC(F)F)cc2C)c1
Cc1ccc(Oc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C#N)cc5C)c4)cnn3c2)nn1
Cc1cc(C(=O)N(C)C)c(Nc2cnc3c(c2)ncn3-c2ccc(C#N)c(-n3nc(OC(F)F)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(c2)ncn3-c2cc(F)c(C(C)O)c(-n3nc(C#N)cc3C)c2)nn1
Cc1ccc(Nc2cnc3c(-c4ccc(C(C)O)c(-n5nc(C(F)F)cc5C)c4)cnn3c2)nn1
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCN(C)CC2)cc1 |r,wU:12.11,wD:15.15,(14.5,-10.38,;14.49,-11.92,;15.83,-12.69,;17.16,-11.92,;18.49,-12.69,;19.83,-11.92,;19.83,-10.38,;21.16,-9.61,;22.49,-10.37,;23.97,-9.89,;24.88,-11.15,;23.97,-12.4,;24.44,-13.87,;25.95,-14.19,;26.42,-15.66,;25.39,-16.8,;25.86,-18.27,;23.88,-16.47,;23.41,-15.02,;22.49,-11.92,;21.16,-12.69,;24.45,-8.43,;25.96,-8.11,;26.43,-6.65,;25.41,-5.5,;25.89,-4.03,;27.4,-3.74,;28.41,-4.9,;29.91,-4.6,;30.41,-3.14,;31.92,-2.84,;29.4,-1.99,;27.88,-2.28,;23.9,-5.82,;23.42,-7.29,)|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:26.27,wD:29.31,(-5.08,.92,;-4.02,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;4,-1.54,;3.99,-3.08,;5.33,-3.85,;6.66,-3.08,;6.66,-1.54,;5.33,-.77,;5.33,.46,;7.99,-3.86,;9.33,-3.09,;10.66,-3.86,;10.66,-5.4,;9.32,-6.17,;9.32,-7.4,;7.99,-5.4,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.67,3.85,;2.68,5.39,;4.01,6.15,;5.34,5.38,;6.41,5.99,;5.34,3.84,;4,3.07,;,.77,;-1.33,1.54,)|
c1ccc2c(c1)[nH]c(n2)C3=C(C=CNC3=O)NC4CCC(CC4)N
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
NC(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc2OCOc2c1)-c1ccccn1
COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
[H][C@]12C[C@H]([C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)N(C)CCOCCOCCOCCNC(=O)CCC1=[N+]2C(C=C1)=Cc1c(C)cc(C)n1[B-]2(F)F |r,c:63,65,t:60|
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
COc1cc(cc(OC)c1OC)-c1cncc(c1C)-c1ccc(cc1)N1CCNCC1
O=C(NCCCNc1ccnc(Nc2cccc(NC(=O)N3CCCC3)c2)n1)C1CCC1
C(Cc1cnc[nH]1)Nc1ccnc(Nc2cccc(CN3CCOCC3)c2)n1
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(ncc12)S(C)(=O)=O |r|
COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1
COc1ccccc1Nc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:36.39,wD:33.35,(2.41,-17.43,;3.75,-16.66,;5.08,-17.43,;5.08,-18.97,;6.41,-19.74,;7.75,-18.97,;7.74,-17.43,;6.41,-16.67,;6.41,-15.13,;7.75,-14.36,;7.74,-12.83,;9.07,-12.05,;10.41,-12.82,;11.74,-12.05,;13.08,-12.83,;14.42,-12.07,;15.74,-12.85,;17.07,-12.09,;17.08,-10.55,;15.74,-9.77,;14.41,-10.54,;13.08,-9.77,;18.41,-9.79,;18.41,-8.25,;19.74,-7.48,;21.08,-8.26,;21.08,-9.8,;22.41,-10.57,;19.74,-10.56,;13.07,-14.38,;14.4,-15.15,;11.73,-15.14,;11.72,-16.67,;13.05,-17.45,;13.04,-18.99,;14.36,-19.77,;15.7,-19.01,;17.03,-19.79,;15.71,-17.47,;14.38,-16.68,;10.4,-14.37,;9.07,-15.13,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ccccn3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:28.30,wD:25.26,(23.37,-16.61,;23.38,-15.07,;24.71,-14.3,;24.7,-12.77,;26.03,-12,;27.37,-12.77,;28.7,-12,;30.04,-12.78,;31.38,-12.02,;32.7,-12.8,;34.04,-12.04,;34.04,-10.5,;32.7,-9.72,;31.37,-10.49,;30.04,-9.72,;35.37,-9.73,;35.38,-8.2,;36.71,-7.43,;38.05,-8.2,;38.04,-9.75,;36.71,-10.51,;30.03,-14.32,;31.36,-15.1,;28.69,-15.09,;28.68,-16.62,;30.01,-17.4,;30,-18.94,;31.32,-19.71,;32.66,-18.96,;33.99,-19.74,;32.68,-17.42,;31.35,-16.63,;27.37,-14.31,;26.04,-15.08,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3nc(C)ccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(4.41,-29.21,;4.41,-27.67,;5.74,-26.9,;5.73,-25.37,;7.06,-24.6,;8.41,-25.37,;9.74,-24.6,;11.07,-25.38,;12.41,-24.62,;13.73,-25.4,;15.07,-24.64,;15.08,-23.09,;13.74,-22.32,;12.41,-23.09,;11.07,-22.32,;16.41,-22.33,;17.74,-23.11,;19.07,-22.34,;20.4,-23.12,;19.08,-20.8,;17.74,-20.03,;16.41,-20.8,;15.08,-20.03,;11.07,-26.92,;12.4,-27.7,;9.73,-27.69,;9.72,-29.22,;11.05,-30,;11.03,-31.53,;12.35,-32.31,;13.7,-31.56,;15.02,-32.34,;13.71,-30.01,;12.38,-29.23,;8.4,-26.91,;7.07,-27.68,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(3.85,-1.33,;3.08,,;1.54,,;.77,-1.33,;-.77,-1.33,;-1.54,,;-3.08,,;-3.85,1.33,;-5.39,1.33,;-6.16,2.67,;-7.7,2.67,;-8.47,1.33,;-7.7,,;-6.16,,;-5.39,-1.33,;-10.01,1.33,;-10.78,2.67,;-12.32,2.67,;-13.09,1.33,;-12.32,,;-10.78,,;-10.01,-1.33,;-3.08,2.67,;-3.85,4,;-1.54,2.67,;-.77,4,;.77,4,;1.54,2.67,;3.08,2.67,;3.85,4,;5.39,4,;3.08,5.33,;1.54,5.33,;-.77,1.33,;.77,1.33,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(20.87,-30.01,;20.87,-28.47,;22.2,-27.7,;22.19,-26.17,;23.52,-25.4,;24.86,-26.17,;26.19,-25.4,;27.53,-26.18,;28.87,-25.42,;30.19,-26.2,;31.53,-25.44,;31.53,-23.9,;30.19,-23.12,;28.86,-23.89,;27.53,-23.12,;32.86,-23.13,;34.19,-23.91,;35.53,-23.15,;35.54,-21.61,;34.2,-20.83,;32.87,-21.6,;31.53,-20.83,;27.52,-27.73,;28.85,-28.5,;26.18,-28.49,;26.17,-30.02,;27.5,-30.8,;27.49,-32.34,;28.81,-33.11,;30.15,-32.36,;31.48,-33.14,;30.17,-30.82,;28.84,-30.03,;24.86,-27.72,;23.53,-28.48,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3C)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:29.31,wD:26.27,(2.39,-18.12,;2.39,-16.58,;3.73,-15.81,;3.72,-14.28,;5.05,-13.51,;6.39,-14.28,;7.72,-13.51,;9.06,-14.29,;10.4,-13.52,;11.72,-14.31,;13.05,-13.55,;13.06,-12,;11.72,-11.23,;10.39,-12,;9.06,-11.23,;14.39,-11.24,;15.72,-12.02,;17.06,-11.25,;17.06,-9.71,;15.72,-8.94,;14.39,-9.71,;13.06,-8.94,;9.05,-15.83,;10.38,-16.61,;7.71,-16.59,;7.7,-18.13,;9.03,-18.91,;9.02,-20.44,;10.34,-21.22,;11.68,-20.47,;13.01,-21.25,;11.69,-18.92,;10.36,-18.14,;6.38,-15.82,;5.06,-16.59,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3ncccc3OC)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(18.96,-17.33,;18.96,-15.79,;20.3,-15.02,;20.29,-13.49,;21.62,-12.72,;22.96,-13.49,;24.29,-12.72,;25.63,-13.5,;26.96,-12.73,;28.29,-13.52,;29.62,-12.75,;29.63,-11.21,;28.29,-10.44,;26.96,-11.2,;25.63,-10.43,;30.96,-10.45,;32.29,-11.23,;33.63,-10.46,;33.63,-8.92,;32.29,-8.15,;30.96,-8.92,;29.63,-8.14,;29.63,-6.6,;25.62,-15.04,;26.95,-15.82,;24.28,-15.8,;24.27,-17.34,;25.6,-18.11,;25.58,-19.65,;26.91,-20.43,;28.25,-19.67,;29.57,-20.46,;28.26,-18.13,;26.93,-17.35,;22.95,-15.03,;21.62,-15.8,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3nc(C)ccc3OC)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:31.33,wD:28.29,(6.5,-14.44,;6.5,-12.9,;7.84,-12.13,;7.83,-10.6,;9.16,-9.83,;10.5,-10.6,;11.83,-9.83,;13.17,-10.61,;14.5,-9.84,;15.83,-10.63,;17.16,-9.86,;17.17,-8.32,;15.83,-7.55,;14.5,-8.31,;13.17,-7.54,;18.5,-7.56,;19.83,-8.34,;21.17,-7.57,;22.5,-8.35,;21.17,-6.03,;19.83,-5.26,;18.5,-6.03,;17.17,-5.25,;17.17,-3.71,;13.16,-12.15,;14.49,-12.93,;11.82,-12.91,;11.81,-14.45,;13.14,-15.22,;13.13,-16.76,;14.45,-17.54,;15.79,-16.78,;17.12,-17.57,;15.8,-15.24,;14.47,-14.46,;10.49,-12.14,;9.16,-12.91,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(n3)C(F)(F)F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:32.34,wD:29.30,(4.99,-14.07,;4.99,-12.53,;6.32,-11.76,;6.31,-10.23,;7.64,-9.46,;8.98,-10.23,;10.32,-9.46,;11.65,-10.24,;12.99,-9.47,;14.31,-10.26,;15.65,-9.5,;15.66,-7.95,;14.32,-7.18,;12.99,-7.94,;11.65,-7.18,;16.99,-7.19,;16.99,-5.66,;18.32,-4.89,;19.66,-5.66,;19.65,-7.2,;18.32,-7.97,;20.98,-7.98,;22.07,-6.88,;22.48,-8.37,;20.98,-9.52,;11.65,-11.78,;12.98,-12.56,;10.31,-12.55,;10.3,-14.08,;11.63,-14.86,;11.61,-16.39,;12.93,-17.17,;14.28,-16.42,;15.6,-17.2,;14.29,-14.87,;12.96,-14.09,;8.98,-11.77,;7.65,-12.54,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(n3)C(F)F)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:31.33,wD:28.29,(4.94,-14.03,;4.94,-12.49,;6.27,-11.72,;6.27,-10.19,;7.59,-9.42,;8.94,-10.19,;10.27,-9.42,;11.61,-10.2,;12.94,-9.44,;14.27,-10.22,;15.6,-9.46,;15.61,-7.92,;14.27,-7.14,;12.94,-7.91,;11.61,-7.14,;16.94,-7.15,;16.94,-5.62,;18.27,-4.85,;19.61,-5.62,;19.61,-7.17,;18.27,-7.93,;20.93,-7.94,;22.27,-7.17,;20.93,-9.48,;11.6,-11.74,;12.93,-12.52,;10.26,-12.51,;10.25,-14.04,;11.58,-14.82,;11.56,-16.36,;12.89,-17.13,;14.23,-16.38,;15.55,-17.16,;14.24,-14.84,;12.91,-14.05,;8.93,-11.73,;7.6,-12.5,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(OC)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(17.34,-23.27,;17.34,-21.73,;18.68,-20.96,;18.67,-19.43,;20,-18.66,;21.34,-19.43,;22.67,-18.65,;24.01,-19.44,;25.35,-18.67,;26.67,-19.46,;28,-18.69,;28.01,-17.15,;26.67,-16.38,;25.34,-17.14,;24.01,-16.37,;29.34,-16.39,;29.34,-14.85,;30.67,-14.09,;32.01,-14.86,;32.01,-16.4,;33.33,-17.18,;34.67,-16.41,;30.67,-17.17,;24,-20.98,;25.33,-21.76,;22.66,-21.74,;22.65,-23.28,;23.98,-24.05,;23.97,-25.59,;25.29,-26.37,;26.63,-25.61,;27.96,-26.4,;26.64,-24.07,;25.31,-23.29,;21.33,-20.97,;20,-21.74,)|
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cc(C)cc(C)n3)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:30.32,wD:27.28,(6.2,-26.67,;6.2,-25.13,;7.54,-24.36,;7.53,-22.83,;8.86,-22.06,;10.2,-22.83,;11.53,-22.06,;12.87,-22.84,;14.2,-22.08,;15.53,-22.86,;16.86,-22.1,;16.87,-20.56,;15.53,-19.78,;14.2,-20.55,;12.87,-19.78,;18.2,-19.79,;18.2,-18.26,;19.53,-17.49,;19.53,-15.95,;20.87,-18.26,;20.87,-19.81,;22.2,-20.58,;19.53,-20.57,;12.86,-24.38,;14.19,-25.16,;11.52,-25.15,;11.51,-26.68,;12.84,-27.46,;12.82,-29,;14.15,-29.77,;15.49,-29.02,;16.82,-29.8,;15.5,-27.48,;14.17,-26.69,;10.19,-24.37,;8.86,-25.14,)|
CNc1ncc2c(n1)N(C(=O)C(=C2)c3ccccc3Cl)CCCCN
CNc1ncc2cc(-c3cc(F)ccc3F)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1 |r,wU:23.24,wD:20.20,(-6.66,.38,;-5.33,-.39,;-4,.38,;-4,1.93,;-2.66,2.7,;-1.33,1.93,;-0,2.69,;1.33,1.92,;2.66,2.69,;4,1.92,;5.33,2.7,;6.66,1.93,;5.33,4.23,;3.99,5,;2.66,4.23,;1.33,5,;1.33,.39,;2.67,-.38,;-0,-.38,;-0,-1.92,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;4,-4.23,;5.33,-5,;4,-2.69,;2.67,-1.92,;-1.33,.39,;-2.66,-.38,)|
CNc1ncc2cc(-c3cc(Cl)ccc3Cl)c(=O)n(CCCCN)c2n1
CNc1ncc2c(n1)N(C(=O)C(=C2)c3cc(ccc3Cl)C(F)(F)F)CCCCN
CNc1ncc2cc(-c3cc(Cl)ccc3Br)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(Br)ccc3Br)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3cc(F)c(cc3F)-c3cccc(C)n3)c(=O)n(CCCCN)c2n1
COc1cnc(N)c(c1)-c1cc2CCN(CC(F)(F)F)C(=O)c2c(OC)c1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1c(N)ncc2ccccc12
COc1ccc2c(ncnc2c1)-c1cc2CCN(CC(F)(F)F)C(=O)c2c(OC)c1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cncc2c(Cl)cccc12
COc1ccccc1Nc1nccc(n1)-c1cc2CCN(CC(F)(F)F)C(=O)c2c(OC)c1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2ccccn2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2ccccn12
COc1cccnc1Nc1ncc(s1)-c1cc2CCN(CC(F)(F)F)C(=O)c2c(OC)c1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cccc(OCCN(C)C)n2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(CN3CCOCC3=O)ccn2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(CN3CCOCC3)ccn2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(ccn2)N2CCOCC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
CN1CC(C1)Oc1cnc(cc1-c1ccn2nc(NC(=O)C3CC3)cc2c1)C#N
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCOCC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(CCO)CC2)s1
COc1cc(cc2CCN(CC#N)C(=O)c12)-c1cnc(Nc2cc(nc(C)n2)N2CCN(C)CC2)s1
COc1cc(cc2CCN(CC(F)(F)F)C(=O)c12)-c1cnc(Nc2nc(C)nc(N3CCN(C)CC3)c2F)s1
FC(F)(F)CN1CCc2cc(ccc2C1=O)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1c(F)cc(F)cc1-c1c[nH]c2ncc(cc12)-c1cnn(c1)C1CCNCC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCO)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-n1cnc2cc(ccc12)N1CCOCC1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CCOCC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCOCC1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CC(F)(F)C1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CC(F)(F)C1
COc1cc(cc(OC)c1C(=O)NCC(F)(F)F)-c1cnc2cc(ccn12)N1CCN(C)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(C)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(CC1)C(C)=O
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCN(CCO)CC1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CCC(CC1)N(C)C
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(ccn12)N1CC(C1)N(C)C
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(Nc3cccc(c3)N3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(Nc3cn(C)cn3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(NC(=O)C3CCOCC3)ccn12
COCCC(=O)Nc1ccn2c(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC(F)F)c1
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(NCCN3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cc(OC(F)F)c1C(=O)NC1CC1)-c1cnc2cc(OCCC3CCOCC3)ccn12
COc1cc(cnc1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
FC(F)Oc1cc(cnc1C(=O)NC1CC1)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cnc1C(=O)NCC(F)(F)F)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(cc2CCN(C3CC3)C(=O)c12)-c1cnc2cc(OCCN3CCOCC3)ccn12
COc1cc(ccc1C(N)=O)-n1cnc2cc(Br)ccc12
COc1cc(cc(OC)c1C(N)=O)-n1cnc2cc(Br)ccc12
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(N)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)OC)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(CO)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(O)=O)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC2CC2)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)NC(C)(C)C)c(OC)c1
CCn1cc(cn1)-c1ccc2n(cnc2c1)-c1cc(OC)c(C(=O)N(C)C2CC2)c(OC)c1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(CC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(C)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC(N)=O)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CC#N)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(CCOC)c1
CCNC(=O)c1c(OC)cc(cc1OC)-n1cnc2cc(ccc12)-c1cnn(c1)C1CCOCC1
CCNC(=O)c1c(OC)cc(cc1OC(F)F)-n1cnc2cc(ccc12)-c1cnn(C)c1
c1cc(cc(c1)Nc2ncc(c(n2)NCCCNC(=O)C3CCC3)C4CC4)CN5CCOCC5
CC1(c2cnc(nc2N(C1=O)[C@H]3CCc4c3cccc4O)Nc5cccc(c5)CN6CCCC6)C
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3F)c(NC3CC3)n2)cc1F
CN1CCN(CC1)c1ccc(Nc2ncc(C(=O)Nc3c(C)cccc3F)c(NC3CCC3)n2)cc1F
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)[nH]c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCOC)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCOC)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCOC)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCO)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCO)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCO)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCCO)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCN)c2n1
CNc1ncc2cc(-c3ccc(cc3Cl)-c3cccc(C)n3)c(=O)n(CCCN)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCCN)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCC3CCNCC3)c2n1
CNc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(C[C@H]3CC[C@H](N)CC3)c2n1
Cc1cccc(-c2ccc(-c3cc4cnc(NC(CO)CO)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(NCCCc5ccc(N)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCOCC5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCCC5=O)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(Nc5cc(C(F)(F)F)ccc5C)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(NCCCN5CCNCC5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(CCCO)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(O)cc5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(C)c(O)c5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
Cc1cccc(-c2ccc(-c3cc4cnc(Nc5ccc(F)c(CO)c5)nc4n(CCCCN)c3=O)c(Cl)c2)n1
COc1ccc(O)c(Nc2ncc3cc(-c4ccc(-c5cccc(C)n5)cc4Cl)c(=O)n(CCCCN)c3n2)c1
COc1cc(N2CCOCC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2cc(-c3ccc(-c4cccc(C)n4)cc3Cl)c(=O)n(CCCCN)c2n1
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2nn(C)cc12
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C
Cc1cc2c(c[nH]c2nc1)Cc3ccc(nc3F)NCc4cc(cnc4OC)F
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
CCc1cc(Nc2nccc(n2)-c2c(nc3ccccn23)-c2ccc(OC)c(c2)C(=O)Nc2c(F)cccc2F)c(OC)cc1N1CCC(CC1)N1CCN(CC1)S(C)(=O)=O
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC