1896 SMILES Strings for Cyclin-dependent kinase 1

Compound Name
SMILES String
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1
COc1ccccc1Nc1nc(NCCO)nc2N(CNc12)C(C)C
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1C(F)(F)F
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccccc1Cl
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(Cl)cc1Cl
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc2ccccc2c1
COc1cccc(Nc2nc(NCCO)nc3N(CNc23)C(C)C)c1
CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(c1)C(F)(F)F
CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Cl)c1
CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(F)c1
CC(C)N1CNc2c1nc(NCCO)nc2Nc1cccc(Br)c1
CC(C)N1CNc2c1nc(NCCO)nc2Nc1ccc(F)c(Cl)c1
COc1ccc(CNc2nc(NCCO)nc3N(CNc23)C(C)C)cc1
CCN(CCO)c1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C
COc1ccc(CNc2nc(NCC(O)CO)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(NCC(O)CN)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
COc1ccc(CNc2nc(NC(CO)CO)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(C)CC2)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCN(CCO)CC2)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCC(O)CC2)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCCC2)cc1
COc1ccc(CNc2nc(NCCCO)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCO)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CC(C)O)CC(C)O)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)CCCO)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCO)Cc2ccccc2)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3N(CNc23)C(C)C)cc1 |r|
CC[C@H](CO)Nc1nc2N(CNc2c(NCc2ccc(OC)cc2)n1)C(C)C |r|
COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3N(CNc23)C(C)C)cc1 |r|
COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3N(CNc23)C(C)C)cc1
COc1ccc(CNc2nc(nc3N(CNc23)C(C)C)N2CCCCC2CCO)cc1
CC(C)N1CNc2c1nc(NCCCO)nc2Nc1cccc(Cl)c1
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCO
CC(O)CN(CC(C)O)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)CCCO
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCO)Cc1ccccc1
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N(CCN(C)C)Cc1ccccc1
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)C[C@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)N1CNc2c1nc(NC1(CO)CCCC1)nc2Nc1cccc(Cl)c1
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(NCCN(C)C)nc2Nc1cccc(Cl)c1
CC(C)N1CNc2c1nc(N[C@@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(N[C@H](CO)c1ccccc1)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(N[C@H](CO)C(C)(C)C)nc2Nc1cccc(Cl)c1 |r|
CCC(C)[C@@H](CO)Nc1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)N1CNc2c1nc(N[C@H](CO)CC1CCCCC1)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(N[C@H](CO)Cc1ccccc1)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(N[C@@H]1Cc3ccccc3[C@@H]1O)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(N[C@H]1Cc3ccccc3[C@H]1O)nc2Nc1cccc(Cl)c1 |r|
CC(C)N1CNc2c1nc(nc2Nc1cccc(Cl)c1)N1CCC[C@@H]1CO |r|
CC(C)N1CNc2c1nc(NCc1ccccc1C(F)(F)F)nc2Nc1cccc(Cl)c1
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccccc2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2cc(N)cc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(C(O)=O)c(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(c2)C(O)=O)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(F)c(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(O)c(c2)C(O)=O)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)c(N)c2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Br)cc2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(Nc2ccc(Cl)cc2)n1)C(C)C |r|
CC(C)[C@H](CO)Nc1nc2N(CNc2c(NCc2cccc(I)c2)n1)C(C)C |r|
CC(C)N1CNc2c1nc(nc2NCc1ccccc1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCc1cccc(I)c1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCc1cccc(c1)C(F)(F)F)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2N(CCN(C)C)Cc1ccccc1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCc1ccc2ccccc2c1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2Nc1ccccc1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2Nc1ccc(Cl)cc1)N1CCCCC1CCO
CCCCNc1nc(nc2N(CNc12)C(C)C)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCCCc1ccccc1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCCNc1ccccc1)N1CCCCC1CCO
CC(C)N1CNc2c1nc(nc2NCCC(c1ccccc1)c1ccccc1)N1CCCCC1CCO
CCN([C@@H](O)C(C)C)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](O)N(Cc1ccccc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](O)N(Cc1cccc(F)c1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](O)N(Cc1ccc(C)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](O)N(Cc1ccc(F)cc1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
CC(C)[C@H](O)N(CC1CCCCC1)c1nc2N(CNc2c(Nc2cccc(Cl)c2)n1)C(C)C |r|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:3.2,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]cc(Br)c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Cl)c(Cl)c12 |w:7.8,t:1|
CC1CC(=C2NC(N)=NC2=O)c2c(Br)c(Br)[nH]c2C(=O)N1 |w:3.2,c:7|
CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:10.11,t:4|
CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)c(Br)c12 |w:9.10,t:3|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(F)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Cl)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:7.8,t:1|
CS(=O)(=O)c1ccc2[nH]c3c(C(CCNC3=O)=C3NC(N)=NC3=O)c2c1 |w:11.11,c:21|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(cc3c12)N(=O)=O |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(N)cc3c12 |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(cccc3c12)N(=O)=O |w:7.8,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3c(N)cccc3c12 |w:7.8,t:1|
CC1CC(=C2NC(N)=NC2=O)c2c([nH]c3ccc(Br)cc23)C(=O)N1 |w:3.2,c:7|
CC(=O)NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c3ccc(Br)cc3c12 |w:10.11,t:4|
Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
Clc1ccc2[nH]c3c(C(CCNC3=O)=NNc3ccccn3)c2c1 |w:14.15|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(Cl)cc4c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)cc1 |w:9.8|
Fc1ccc2[nH]c3c(C(CCNC3=O)=NNc3cccnc3Cl)c2c1 |w:14.15|
NS(=O)(=O)c1ccc(NN=C2CCNC(=O)c3[nH]c4ccc(F)cc4c23)nc1 |w:9.8|
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)N(=O)=O)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
CNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)S(C)(=O)=O)n1
CCNS(=O)(=O)c1cccc(Nc2nccc(n2)-c2sc(N)nc2C)c1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N2CCOCC2)n1
CC1=C(SC(=O)N1C)c2ccnc(n2)Nc3ccc(cc3)S(=O)(=O)NCCOC
Cc1c(sc(=O)n1C)-c1ccnc(Nc2cccc(c2)C#N)n1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(C)c(c2)N(=O)=O)n1
Cc1c(sc(=O)n1C)-c1ccnc(Nc2ccc(cc2)N2CCNCC2)n1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
NCCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
NCCCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
OC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
COC(=O)CCc1ccc2NC(=O)Cc3c([nH]c4ccc(cc34)[N+]([O-])=O)-c2c1
[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(CCC#N)cc-34)c2c1
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
C[C@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=N)(=O)CCO)ncc1Br |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=N)=O |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@@H](C)O)n2)ccc1S(C)(=O)=NC |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)ccc1S(C)(=O)=NC |r|
COc1cc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)ccc1S(C)(=N)=O |r|
C[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
COC[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@@H](C)O |r|
COC[C@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)[C@H](C)O |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](C)C(C)(C)O)n2)cc1 |r|
C[C@@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
CC(C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CS(=N)(=O)c1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
CCC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(C)(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(N)(=C)=O)ncc1Br |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O |r|
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
C[C@@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br |r|
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(C)(=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
COc1cc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)ccc1S(C)(=N)=O |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
C[C@H](CO)Nc1nc(Nc2ccc(cc2)S(=O)(CC2CC2)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(=NS(=O)(=O)CC[Si](C)(C)C)C2CCCC2)ncc1Br)C(C)(C)O |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1 |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@@H](COC)[C@H](C)O)n2)cc1 |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(O[C@H](C)[C@H](C)O)n2)cc1 |r|
CCOc1nc(Nc2ccc(cc2)S(=N)(=O)CC)ncc1Br
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](COC)[C@H](C)O)n2)cc1 |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CCCC2)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)CC2CC2)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br)C(C)(C)O |r|
C[C@@H](Nc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1Br)C(C)(C)O |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)C(C)(C)O)n2)cc1C |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(cc2)S(=O)(CC=O)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
C[C@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(CCO)=NS(=O)(=O)CC[Si](C)(C)C)ncc1Br |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1C |r|
CCOC(=O)N=S(=O)(CC)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CCS(=N)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
C[C@H](O)[C@@H](C)Nc1nc(Nc2ccc(c(C)c2)S(C)(=N)=O)ncc1Br |r|
CCOC(=O)N=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CN=S(C)(=O)c1ccc(Nc2ncc(Br)c(N[C@H](C)[C@H](C)O)n2)cc1 |r|
CC(O)CSc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(O)C(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)O
CC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
CCC(Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br)C(C)(C)O
CCC(C)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
CC(CO)Sc1nc(Nc2ccc(cc2)S(C)(=N)=O)ncc1Br
c1cc(ccc1/N=N\c2c([nH]nc2N)N)O
Nc1n[nH]c(N)c1\N=N\c1ccncc1
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(F)F)ncc1C(F)(F)F |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C2CCCC2)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC=C)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)C(C)C)ncc1C(F)(F)F |r|
C[C@@H](Oc1nc(Nc2ccc(cc2)S(=O)(=O)CC#C)ncc1C(F)(F)F)C(C)(C)O |r|
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=O)(=O)CCO)ncc1C(F)(F)F |r|
COC[C@@H](C)Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F |r|
CS(=O)(=O)c1ccc(Nc2ncc(c(OCC#C)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OCCC(F)(F)F)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OCC=C)n2)C(F)(F)F)cc1
CS(=O)(=O)c1ccc(Nc2ncc(c(OC3CCCCC3)n2)C(F)(F)F)cc1
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O |r|
CC[C@@H]([C@@H](C)O)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3cccnc3
CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C |r|
CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4C)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCC1 |r,TLB:29:28:24.23.25:20.21.27,18:20:24.23.25:28|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCCCC1 |r,TLB:18:20:24.23.25:28,29:28:24.23.25:20.21.27|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4(CNC4)CC3)nc2n1C1CCCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)C4(C)O)nc2n1C1CCCCCC1 |TLB:29:27:20.26.21:23.24,18:20:27:23.24,THB:28:27:20.26.21:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC3C4O)nc2n1C1CCCCCC1 |TLB:18:20:24.23:26,THB:27:26:24.23:20.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(C)=O)nc2n1C1CCCCCC1 |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNC(C4)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CN[C@@H](C4)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4CN[C@H](C4)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(CC(F)(F)F)C4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(C)C4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC4(N)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@]4(N)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4C[C@@]4(N)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC4(C3)N(C)C)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC3CN4)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCCC4C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCC[C@@H]4C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C4CCC3CNC4)nc2n1C1CCCC1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3CN4)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC[C@@H]4CCN[C@@H]4C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC3C4O)nc2n1C1CCCC1 |TLB:18:20:24.23:26,THB:27:26:24.23:20.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(C)=O)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4CCO)nc2n1C1CCCC1 |TLB:18:20:27:23.24,28:27:20.26.21:23.24|
CC(C)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |TLB:1:3:9.8.10:5.6,THB:11:9:3:5.6|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3C[C@@H]4O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@H]3C[C@H]4O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNCC4C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)C4O)nc2n1C1CCCC1 |TLB:18:20:27:23.24,THB:28:27:20.26.21:23.24|
CN(C)C1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |THB:11:9:3:5.6,1:3:9.8.10:5.6|
CC(CO)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |THB:12:10:4:6.7|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(3.47,1.95,;4.24,3.29,;5.78,3.29,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.71,-4.03,;-2.26,-5.02,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4(C)CN(C)CC(C)(C3)C4O)nc2n1C1CCCC1 |TLB:32:31:20.30.21:27.25.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3[C@H]4CNC[C@@H]3COC4)nc2n1C1CCCC1 |r,TLB:18:20:24.23.22:28.27.26|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4(CNC4)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4[C@H](N)[C@H]4C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C)nc2n1C1CCCC1 |TLB:28:27:20.26.21:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CN(Cc5ccccc5)CC(C3)O4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNCC(C3)O4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCC3CC4)nc2n1C1CCCC1 |(3.47,2.15,;4.24,3.48,;5.78,3.48,;3.47,4.82,;4.24,6.15,;1.93,4.82,;1.02,6.06,;-.44,5.59,;-1.78,6.36,;-3.11,5.59,;-3.11,4.05,;-4.44,3.28,;-4.44,1.74,;-3.11,.97,;-3.11,-.57,;-4.44,-1.34,;-5.78,-.57,;-5.78,.97,;-4.44,-2.88,;-5.78,-3.65,;-3.11,-3.65,;-3.45,-5.15,;-2.49,-6.36,;-.95,-6.36,;.01,-5.15,;-.33,-3.65,;-1.72,-2.98,;-1.02,-4.19,;-1.72,-5.02,;-1.78,3.28,;-.44,4.05,;1.02,3.57,;1.79,2.24,;3.26,1.76,;3.26,.22,;1.79,-.25,;.89,.99,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4C[C@@H]3CN4)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5)c(C)n3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cc(C)c(cn3)C(O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1cccc(c1)C(C)(C)C |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCC1 |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCN(CC1)C1CC1 |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCN(CC1)C(C)(C)C |TLB:18:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C(C)(C)C |TLB:18:20:27:23.24|
CSCC[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:16:14:8:10.11|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)CN)nc2n1C1CCCC1 |TLB:18:20:27:23.24,28:27:21.20.26:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)C3CCCN3)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
CC(C)[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:15:13:7:9.10|
CCOC(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCOC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4CCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4COCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)O4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4COCC(C3)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1C[C@H]2CC[C@@H]1C2 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1C[C@@H]2CC[C@H]1C2 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CC4(N)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(N4)C3=O)nc2n1C1CCCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(5.78,3.29,;4.24,3.29,;3.47,1.95,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.74,-4,;-2.32,-5.18,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5)OC3=O)nc2n1C1CCCCC1 |TLB:28:20:27:23.24,THB:19:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4C3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C4CCN(CC4)CC3=O)nc2n1C1CCCCCC1 |(6.6,3.29,;5.27,4.06,;5.27,5.6,;3.94,3.29,;3.94,1.75,;2.6,4.06,;2.6,5.6,;-.06,5.6,;-1.4,6.37,;-2.73,5.6,;-2.73,4.06,;-4.07,3.29,;-4.07,1.75,;-2.73,.98,;-2.73,-.56,;-4.07,-1.33,;-5.4,-.56,;-5.4,.98,;-4.07,-2.87,;-2.62,-3.26,;-2.07,-4.22,;-2.07,-5.48,;-3.72,-6.37,;-2.82,-5.07,;-3.63,-4.26,;-5.27,-5.37,;-5.27,-3.83,;-6.6,-3.06,;-1.4,3.29,;-.06,4.06,;1.27,3.29,;1.27,1.75,;-.12,1.08,;-.46,-.42,;.5,-1.63,;2.04,-1.63,;3,-.42,;2.66,1.08,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C4CCN(CC4)CC3=O)nc2n1C1CCCC1 |(10.21,-9.15,;8.67,-9.15,;7.9,-10.49,;7.9,-7.82,;8.67,-6.49,;6.36,-7.82,;5.46,-6.57,;3.99,-7.05,;2.66,-6.28,;1.32,-7.05,;1.32,-8.59,;-.01,-9.36,;-.01,-10.9,;1.32,-11.67,;1.32,-13.21,;-.01,-13.98,;-1.34,-13.21,;-1.34,-11.67,;-.01,-15.52,;1.43,-15.91,;1.99,-16.87,;1.99,-18.12,;.33,-19.02,;1.24,-17.72,;.43,-16.91,;-1.21,-18.02,;-1.21,-16.48,;-2.55,-15.71,;2.66,-9.36,;3.99,-8.59,;5.46,-9.07,;5.85,-10.55,;7.32,-11.03,;7.32,-12.57,;5.85,-13.05,;4.95,-11.8,)|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3=O)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5)OC3=O)nc2n1C1CCCC1 |TLB:28:20:27:23.24,THB:19:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5C)OC3=O)nc2n1C1CCCC1 |TLB:29:20:27:23.24,THB:19:20:27:23.24|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCNCC4)OC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCN(C)CC4)OC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNCC4)OC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@]4(CCCNCC4)OC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCNC4)OC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCN(C)C4)OC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CC3CN4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(C3)N4)nc2n1C1CCCC1 |TLB:15:18:25:21.22|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4)C3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4C(=O)OC(C)(C)C)C3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCCC4(CCNCC4)C3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCNCC4)OC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCOC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4)C3=O)nc2n1C1CCCOC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCC1 |r|
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:27:26:23.24.17.18:21.20|
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CC4CCC(C3)N4)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccccc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1-c1ccccc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1-c1ccccc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1C1CCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1C1CCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4S(C)(=O)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(=O)CNC(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CC(C)N1[C@H]2CC[C@@H]1CC(=O)N(C2)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:1:3:8.9.11.12:6.5|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4CC(F)(F)F)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4COCC(CC3=O)N4)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCC[C@H]4C3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCC[C@@H]4C3=O)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(nc2n1C3CCCC3)Nc4ccc(cn4)N5CCNCC5
CCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCF)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
COCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(C)OCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCOCCO)CC3)nc2n1C1CCCC1
C[C@@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H](O)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(C)(C)O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(O)CO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@@H](O)CO)CC3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(C[C@H](O)CO)CC3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C3CCCC3)nc2n1C1CCCC1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(CO)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
COC(=O)C(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CC(N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1)C(O)=O
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC4CCCCC4)CC3)nc2n1C1CCCC1
CC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CCC(C)CN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CC3CCCCC3)nc2n1C1CCCC1
CC(C)CCCN1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(F)(F)F)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC(N)=O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC#N)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CCC#N)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)C3CCCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CCC3CCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)CN)nc2n1C1CCCC1
CN(C)CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCCCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(=O)N3CCOCC3)nc2n1C1CCCC1
C[C@@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1C(=O)OC(C)(C)C)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CC1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
C[C@@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
C[C@H]1CN(CCN1CCO)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(C)(C)C3)nc2n1C1CCCC1
CC1CN(CC(C)N1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNC(=O)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(N)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC[C@H](O)C3)nc2n1C1CCCC1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC(O)C3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCN)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N(C)CCO)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC(O)C4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)S(C)(=O)=O)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCNCC4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)CC4)cn3)nc2n1C1CCCC1
CC1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1
C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CCN1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(C)C(=O)C4)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(C)=O)cn3)nc2n1C1CCCC1
CC(C)N1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CC4)C(=O)CN)cn3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CC5CCC(C4)N5)cn3)nc2n1C1CCCC1
C[C@H]1CN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)C[C@@H](C)N1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCC(O)CC4)cn3)nc2n1C1CCCC1
COCCN1CCN(Cc2ccc(Nc3ncc4cc(C(=O)N(C)C)n(C5CCCC5)c4n3)nc2)CC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(CN4CCN(CCO)CC4)cn3)nc2n1C1CCCC1
C[C@H](CO)NCc1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r|
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)NC3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)C3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC(O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N(C)CCN)nc2n1C1CCCC1
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(O)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCNCC3)nc2n1C1CCCC1
CC(C)N1CCC(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CC3)C(=O)OC(C)(C)C)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCNCC3)nc2n1C1CCCC1
CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nn1
CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCNCC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3cnc(cn3)N3CCN(CCO)CC3)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccccn3)nc2n1C1CCC(C)(O)CC1 |(3.47,4.93,;4.24,3.6,;5.78,3.6,;3.47,2.26,;4.24,.93,;1.93,2.26,;1.02,3.51,;-.44,3.03,;-1.78,3.8,;-3.11,3.03,;-3.11,1.49,;-4.44,.72,;-4.44,-.82,;-3.11,-1.59,;-3.11,-3.13,;-4.44,-3.9,;-5.78,-3.13,;-5.78,-1.59,;-1.78,.72,;-.44,1.49,;1.02,1.02,;1.42,-.47,;.33,-1.56,;.73,-3.05,;2.22,-3.44,;1.82,-4.93,;3.31,-4.53,;3.31,-2.36,;2.91,-.87,)|
CN(C)C1CCN(CC1)c1ccc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)nc1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc2n1C1CCCC1
CNC(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN(CC3)C(C)C)nc2n1C1CCCC1
C1CCC(C1)n1c(cc2cnc(Nc3ccc(cn3)N3CCNCC3)nc12)-c1cnco1
C(N1CCNCC1)c1ccc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)nc1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCNCC3=O)nc2n1C1CCCC1
CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCOCC3)nc2n1C1CCCC1
C[Si](C)(C)C1=C2C(CC1=O)CC(O)c1cc3ccccc3nc21 |t:4|
C[Si](C)(C)C1=C2C(CC1=O)CC(Cl)c1cc3ccccc3nc21 |t:4|
COc1ccc2nc3C4=C(C(=O)CC4CC(O)c3cc2c1)[Si](C)(C)C |t:8|
COc1cc2cc3C(O)CC4CC(=O)C(=C4c3nc2cc1OC)[Si](C)(C)C |c:14|
COc1ccc2cc3C(O)CC4CC(=O)C(=C4c3nc2c1)[Si](C)(C)C |c:15|
COc1cc(F)ccc1-c1ccnc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)c1 |r|
COc1cc(F)ccc1-c1ccnc(NC(=O)C2CCC(C2)NC(C)=O)c1
CCN1CCN(Cc2ccc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN(C)C)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CCO)ncc1F
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
CN1CCN(CC(=C)N2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(C6CCCC6)c5c4)ccc3C2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCOCC2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C(C)N(C)C)ncc1F
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C=C)ncc1F
CN(C)CCOC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
C[C@@H](N(C)C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)NCCO)ncc1F
CNCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
CN1CCC[C@H]1C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
CN(C)CCN(C)C(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H](C)N(C)C)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)C2CCCN2)ncc1F
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN1CCC[C@@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CC#CCN(C)C)CCc3n2)ncc1F
C[C@H](CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1)N(C)C |r|
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CCC(CC)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C1CC1)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
CN(C)CCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN(C)CCC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CN1CCO[C@@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CN1CCO[C@H](CN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)C1 |r|
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCCC5)c4c3)ccc2C1
C[C@@H]1NCCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc12 |r|
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1 |r|
C[C@@H]1Cc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2CN1CCN(C)C |r|
CN(C)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(CC5CC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
CN1CCC[C@H]1CN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1 |r|
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CC5)c4c3)ccc2C1
CN1CCN(CCN2CCc3nc(Nc4ncc(F)c(n4)-c4cc(F)c5nc(C)n(c5c4)C(C)(C)C)ccc3C2)CC1
CN(CCO)CCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C(C)(C)C)ccc2C1
Cc1nc2c(F)cc(cc2n1C(C)(C)C)-c1nc(Nc2ccc3CN(CCN)CCc3n2)ncc1F
CNCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(c4c3)C3(C)CC3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CNCCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CO)ncc1F
COCCN1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)ccc2C1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCO)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)CN2CCN(C)CC2)ncc1F
CN(C)CC(=O)N1CCc2nc(Nc3ncc(F)c(n3)-c3cc(F)c4nc(C)n(C5CCC5)c4c3)ccc2C1
Cc1nc2c(F)cc(cc2n1C1CC1)-c1nc(Nc2ccc3CN(CCc3n2)C(=O)[C@@H]2CCCN2)ncc1F |r|
[#6]-[#6](-[#6])-n1c(-[#6])nc2c(F)cc(cc12)-c1nc(-[#7]-c2ccc3-[#6]-[#7](-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-[#6]-c3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)CB(O)O)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCS(C)(=O)=NC#N)CCc3n2)ncc1F
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@@H]4CNCCO4)CCc3n2)ncc1F |r|
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(C[C@H]4CNCCO4)CCc3n2)ncc1F |r|
NS(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NS(=O)(=O)c1ccc(Nc2ncc3cc4NN=CC5(CCCCC5)n4c3n2)cc1 |c:16|
CN1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
C[C@@H]1NC(=O)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |r|
CN1N=CC2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |c:2|
NS(=O)(=O)c1ccc(Nc2ncc3cc4[C@@H](CF)NC(=O)C5(CCCCC5)n4c3n2)cc1 |r|
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1C(=O)N(C)c2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1
CC1=NNc2cc3cnc(Nc4ccc(cc4)S(N)(=O)=O)nc3n2C11CCCCC1 |t:1|
CN1N=C(C)C2(CCCCC2)n2c1cc1cnc(Nc3ccc(cc3)S(N)(=O)=O)nc21 |t:2|
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)S(=O)(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4C(O)NC(=O)C5(CCCCC5)n4c3n2)cc1
CN1CCN(CC1)C(=O)c1ccc(Nc2ncc3cc4NC(=O)CC5(CCCCC5)n4c3n2)cc1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)S(=O)(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCNCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CN(C)C(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
NC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CNC(=O)Nc1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CC1C(=O)Nc2cc3cnc(Nc4ccc(cc4)C(=O)N4CCN(C)CC4)nc3n2C11CCCCC1
O=C(N1CCOCC1)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
CS(=N)(=O)c1ccc(Nc2ncc3cc4NNC(=O)C5(CCCCC5)n4c3n2)cc1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3NNC(=O)C4(CCCCC4)n3c2n1
Nc1ccc(cc1)S(=O)(=O)Nc1ncc2cc3C(=O)NCC4(CCCCC4)n3c2n1
NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(S(=O)(=O)NCCOCCOC/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)cc2)ncc1Br
NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(S(=O)(=O)NCCOCCOCCOCCOCCOC/C=C/C(=O)N3CCC[C@@H](n4nc(-c5ccc(Oc6ccccc6)cc5)c5c(N)ncnc54)C3)cc2)ncc1Br
CN(C/C=C/C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1)CCCN1CCN(CCCNS(=O)(=O)c2ccc(Cc3ncc(Br)c(Cc4cccc(F)c4C(N)=O)n3)cc2)CC1
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCN(C)C/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
CCc1cnn2c(NCc3ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOC/C=C/C(=O)N4CCC[C@@H](n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)C4)nc3)cc(N3CCCC[C@H]3CCO)nc12
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(Cl)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1cc(F)ccc1O |r|
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1-c1ccc(F)cc1O |r|
OC[C@H](Nc1cnc(-c2cc(Cl)ccc2O)c(c1)-c1ccc2cnccc2c1)c1ccccc1 |r|
Nc1nc(NCCNc2ncc(-c3ncc[nH]3)c(n2)-c2ccc(Cl)cc2Cl)ccc1[N+]([O-])=O
Cc1c[nH]c(n1)c2cnc(nc2c3ccc(cc3Cl)Cl)NCCNc4ccc(cn4)C#N
Nc1nc(NCCNc2ncc(c(n2)-c2ccc(Cl)cc2Cl)-n2ccnc2)ccc1[N+]([O-])=O
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@H]1CCO |r|
CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
CCN1CCN(Cc2ccc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
CCN1CCC(CC1)Oc1cnc(Nc2cc(ncn2)-c2cc(F)c3nc(C)n(C(C)C)c3c2)cn1
CCN1CCN(Cc2ccc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
CCN1CCN(Cc2cnc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
CCN1CCN(Cc2ccc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nn2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC(F)(F)F)CC3)cn2)ncn1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC3)C3CCCC3)cn2)ncn1
CCN1CCC(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
CCN1CCC(CC1)C(C)c1cnc(Nc2cc(ncn2)-c2cc(F)c3nc(C)n(C(C)C)c3c2)cn1
CCN1CCN(Cc2cnc(Nc3cc(c(F)cn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
CC(C)n1c(C)nc2c(F)cc(cc12)-c1cc(Nc2cnc(CN3CCN(CC4CC4)CC3)cn2)ncn1
CCN1CCN(Cc2ccc(Nc3cc(ccn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
CCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)nc2)CC1
COCCN1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
CC(C)N1CCN(Cc2cnc(Nc3cc(ncn3)-c3cc(F)c4nc(C)n(C(C)C)c4c3)cn2)CC1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CSc1ncc-2c(CCc3cnc(Nc4ccc(cc4)C(=O)N(C)CCN(C)C)nc-23)n1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
C[C@H]([C@@H](C)Oc1c(cnc(n1)Nc2ccc(cc2)S(=N)(=O)C3CC3)C(F)(F)F)O
Cc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2[nH]1
Nc1ncc(cc1-c1nc2ccccc2[nH]1)-c1ccccc1
Nc1ncccc1-c1nc2ccccc2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(n1)-c1nc2cccc(N3CCNCC3)c2n1C
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cccc(c3)C(=O)N(C)C)n(C)c12 |r|
C[C@H]1CN(CCN1)c1cccc2nc(-c3nc(cnc3N)-c3cc(ccn3)C(=O)N(C)C)n(C)c12 |r|
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2cccc(N3CCNCC3)c2[nH]1
CN(C)C(=O)c1cccc(c1)-c1cnc(N)c(c1)-c1nc2ccccc2[nH]1
C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCOCC1
CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCCCOC=C)CCCCC1
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCOCC1
C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCOC=C)CCOCC1
CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
C[N+]1(CCOP([O-])(=O)OCCCCCCCCCCCCCCOC=C)CCCCC1
CCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCOCC1
CCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+]1(C)CCCCC1
CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
Nc1nc(NCCO)nc2nc[nH]c12
CN(C1CCCCC1)c1nc(NCCO)nc2n(C)cnc12
Cn1cnc2c(NCc3ccccc3)ncnc12
CN1CN=C(NCc2ccccc2)c2[nH]cnc12 |t:3|
CC[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
OCCNc1nc(NCc2ccccc2)c2[nH]cnc2n1
[#6]\[#6](-[#6])=[#6]\[#6]-[#7]-c1nc(-[#7]-[#6]-[#6]-[#8])nc2n(-[#6])cnc12
CN1C=Nc2nc[nH]c2C1N |c:2|
Cc1nc(N)c2[nH]cnc2n1
Cn1cnc2c(N)nc(Cl)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
Nc1nc(NCc2ccccc2)c2[nH]cnc2n1
CC(O)CNc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Cn1cnc2c(NCc3ccccc3)nc(N)nc12
CN1CN=C(N)c2[nH]cnc12 |t:3|
Cn1cnc2c(N)nc(NCCO)nc12
CN(C1CCCCC1)c1nc(Cl)nc2n(C)cnc12
C(Nc1ncnc2nc[nH]c12)c1ccccc1
Cn1cnc2c1nc(nc2NCc3ccccc3)NCCO
Cn1cnc2c(NCc3ccccc3)nc(Cl)nc12
CN1CNc2ncnc(N)c12
[#6]\[#6](-[#6])=[#6]/[#6]-[#7]-c1nc(Cl)nc2n(-[#6])cnc12
OCCNc1nc(NCc2ccccc2)c2ncn(CCO)c2n1
Nc1ncnc2nc[nH]c12
Nc1nc(N)c2[nH]cnc2n1
CN1CNc2ncnc(NCc3ccccc3)c12
Nc1nc(Cl)nc2nc[nH]c12
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12
Cn1cnc2c1ncnc2N
CN1C=Nc2nc[nH]c2C1NCc1ccccc1 |c:2|
CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCc3ccccc3
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Cc1nc(N)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
COCCNS(=O)(=O)c1ccc(Nc2ncc(cn2)-c2cnc3cccnn23)cc1
C[C@@H](O)[C@H](C)Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1 |r|
CCOC(=O)Sc1cnc(NC(C)=O)s1
CCc1cnc(CSc2cnc(NC(=O)Cc3cccnc3)s2)o1
CC1=C(C(=O)N(c2c1cnc(n2)Nc3ccc(cn3)N4CCNCC4)C5CCCC5)C(=O)C
CN(C)C(=O)c1cc2cnc(Nc3ccc(cc3)N3CCNCC3)nc2n1C1CCCC1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(\C=C\c1c(Cl)cccc1Cl)cc2=O |r|
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(cc1Cl)C(F)(F)F |r|
Clc1ccc(cc1Cl)C(=O)Nc1ccc2cc(ccc2c1)C(=O)Nc1nccs1
COc1cccc(OCCCN)c1-c1cc(Nc2cnc(cn2)C#N)n[nH]1
CNc1nc(Nc2cnc(C#N)c(O[C@@H]3CCCNC3)c2)ncc1-c1cnn(C)c1
CC(C)(C)OC(=O)N1c2ccccc2-c2c(CC1=O)c1cc(Br)ccc1n2C(=O)OC(C)(C)C
COc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
Oc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1O
CCN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
COc1cccc2-c3[nH]c4ccccc4c3CC(=O)Nc12
ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
Brc1ccc2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
Brc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2[nH]c-3c(CC(=O)N(Cc4ccccc4)c4ccccc-34)c2c1
Brc1ccc2[nH]c-3c(CC(=S)Nc4ccccc-34)c2c1
CSC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1 |t:2|
Clc1cc(Cl)c2c3CC(=O)Nc4ccccc4-c3[nH]c2c1
CCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
COc1cc2NC(=O)Cc3c([nH]c4ccc(cc34)C(F)(F)F)-c2cc1OC
O=C1Cc2c([nH]c3ccc(cc23)C#N)-c2ccccc2N1
Brc1ccc2NC(=O)Cc3c([nH]c4ccccc34)-c2c1
CN1CCC([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1
FC(F)(F)c1ccc2[nH]c-3c(CC(=O)Nc4ccc(Br)cc-34)c2c1
Clc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
COC(=O)Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Cc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
COc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
Brc1ccc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2c1
COc1cc2NC(=O)Cc3c([nH]c4ccccc34)-c2cc1OC
CC(C)(C)OC(=O)C1c2c(-c3ccccc3N(C(=O)OC(C)(C)C)C1=O)n(C(=O)OC(C)(C)C)c1ccc(Br)cc21
Cn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Fc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
CCc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
Clc1ccc2[nH]c-3c(CC(=O)Nc4ccccc-34)c2c1
COc1cc2NC(=O)Cc3c([nH]c4ccc(Br)cc34)-c2cc1OC
OCCn1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Cc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
Brc1cccc2c3CC(=O)Nc4ccccc4-c3[nH]c12
CC(C)(C)OC(=O)C1c2c([nH]c3ccc(Br)cc23)-c2ccccc2N(C(=O)OC(C)(C)C)C1=O
CC(C)(C)OC(=O)n1c-2c(CC(=O)Nc3ccccc-23)c2cc(Br)ccc12
Oc1cccc2-c3[nH]c4ccc(Br)cc4c3CC(=O)Nc12
Brc1ccc2n(CC=C)c-3c(CC(=O)Nc4ccccc-34)c2c1
COC(=O)CN1c2ccccc2-c2[nH]c3ccc(Br)cc3c2CC1=O
CC(C)c1cnn2c(NCc3ccccc3N(C)C)nc(OC3CCN(C)CC3)nc12
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc1cccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)c1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@H]4CCNC[C@H]4O
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@@]4(CCNC[C@H]4O)O
CC(C)c1cnn2c(NCc3ccccc3)cc(NC[C@]3(CO)CCNC3)nc12 |r|
CC(C)c1cnn2c(NCc3ccccc3)cc(NCC3CCNCC3)nc12
CC(C)c1cnn2c(NCc3ccccc3-n3cccn3)nc(OC3CCCNC3)nc12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CO)c1
COc1cccc(c1)-c1cn(-c2cccc(CO)c2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
COc1cccc(c1)-c1cn(-c2ccc(CNCCO)cc2)c2ncnc(N)c12
CNc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CO
COc1cccc(c1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3cccc(Cl)c3)c12)-c1ccccc1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccccc1CNCCO
COc1cccc(c1)-c1cn(-c2ccc(CCN(C)CCO)cc2)c2ncnc(N)c12
COc1cccc(c1)-c1cn(-c2ccc(CC(=O)NCCO)cc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1cccc(CNCCO)c1
Cc1ccccc1-c1cn(-c2ccccc2)c2ncnc(N)c12
COc1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
CCOC(=O)c1ccc(cc1)-c1cn(-c2ccccc2)c2ncnc(N)c12
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CO)cc1
Nc1ncnc2n(cc(-c3ccccc3)c12)-c1ccc(CNCCO)cc1
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NCCCCCCN
CC(C)c1cnn2c1nc(cc2NCc3ccccc3)NC[C@H]4CCNC[C@@H]4O
CC(C)c1cnn2c(NC3CCN(CC3)C(=O)O[C@H]3CCN(C3)C(=O)\C=C\CN(C)C)cc(C)nc12 |r|
c1cc2cc(c1)S(=O)(=O)NCCCNc3c(cnc(n3)N2)Br
CCn1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
CN1CCN(CC1)Cc2ccc(cc2C(F)(F)F)NC(=O)Nc3ccc(cc3)Oc4ccnc(n4)N
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
CN(C)c1cc2c(Nc3ccc4n(Cc5ccccc5)ncc4c3)ncnc2cn1
COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
COc1nccc(n1)-c1c(ncn1C1CCNCC1)-c1ccc(F)cc1
NC(=O)c1sc(nc1OCCCC1CCN(Cc2ccc(F)cc2)CC1)-c1ccnc(NC(=O)C2CC2)c1
NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)[C@H](CO)N(CC1CCCCC1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3ccc(Cl)cc3Cl)nc(NCCO)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCCO
CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCN(C)C)Cc2ccccc2)cc1
CC(C)n1cnc2c(Nc3ccc(Cl)cc3)nc(nc12)N1CCCCC1CCO
COc1ccc(CNc2nc(NCC(O)c3ccccc3)nc3n(cnc23)C(C)C)cc1
CC(C)[C@H](CO)N(Cc1ccc(F)cc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3ccccc3Cl)nc(NCCO)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(C)CC2)cc1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)Cc1ccccc1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(O)c(c2)C(O)=O)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)c3ccccc3)nc12
CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(N)c2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(C)CC(O)c2ccccc2)cc1
COc1ccc(CNc2nc(NCC(O)CO)nc3n(cnc23)C(C)C)cc1
CC(C)C[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CCCCNc1nc(nc2n(cnc12)C(C)C)N1CCCCC1CCO
CC(C)n1cnc2c(Nc3ccc(F)c(Cl)c3)nc(NCCO)nc12
CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c(NCCNc3ccccc3)nc(nc12)N1CCCCC1CCO
CCN([C@@H](CO)C(C)C)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(Br)cc2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)N(Cc1ccccc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)N(Cc1ccc(C)cc1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
CCC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)c3ccccc3)nc12
CCN(CCO)c1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCc3ccccc3C(F)(F)F)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCN(C)C)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCCC2)cc1
[#6]-[#6](-[#6])-n1cnc2c(-[#7]-[#6]\[#6]=[#6](/[#6])-[#6])nc(-[#7])nc12
CC(C)n1cnc2c(Nc3cccc(F)c3)nc(NCCO)nc12
COc1ccc(CNc2nc(NCC(O)CN)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)CC3CCCCC3)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCN(C)C)Cc1ccccc1
CC(C)n1cnc2c(Nc3ccc4ccccc4c3)nc(NCCO)nc12
CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCCCC1CCO
COc1ccc(CNc2nc(NC3(CO)CCCC3)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(NCCC(c3ccccc3)c3ccccc3)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N(CCO)CCO
CC(C)[C@H](CO)Nc1nc(Nc2ccc(N)c(Cl)c2)c2ncn(C(C)C)c2n1
COc1cccc(Nc2nc(NCCO)nc3n(cnc23)C(C)C)c1
CC[C@H](CO)Nc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(NCCO)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3(CO)CCCC3)nc12
CC(C)[C@H](CO)Nc1nc(Nc2ccc(Cl)c(c2)C(O)=O)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccc(N)cc3)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3[C@@H](O)Cc4ccccc34)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC(O)CC2)cc1
COc1ccc(CNc2nc(N[C@@H](CO)CC(C)C)nc3n(cnc23)C(C)C)cc1
COc1ccc(CNc2nc(N[C@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1
CC(C)[C@H](CO)N(Cc1cccc(F)c1)c1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)Cc2ccccc2)cc1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c1nc(nc2NCc3ccc(cc3)OC)N(CCO)CCO
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3[C@H](O)Cc4ccccc34)nc12
COc1ccccc1Nc1nc(NCCO)nc2n(cnc12)C(C)C
CC(C)n1cnc2c(NCCCc3ccccc3)nc(nc12)N1CCCCC1CCO
CC(C)[C@@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(NC(CO)CO)nc3n(cnc23)C(C)C)cc1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCCCC1CCO
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCCO)nc12
COc1ccc(CNc2nc(N[C@@H](CO)C(C)C)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(Nc3ccccc3C(F)(F)F)nc(NCCO)nc12
CC(C)n1cnc2c(Nc3cccc(Br)c3)nc(NCCO)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N(CCO)CCCO)cc1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H](CO)C(C)(C)C)nc12
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H](CO)Cc3ccccc3)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCCCC2CCO)cc1
CC(C)n1cnc2c(NCc3ccc4ccccc4c3)nc(nc12)N1CCCCC1CCO
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCN(CCO)CC2)cc1
CC(C)[C@H](CO)Nc1nc(NCc2cccc(I)c2)c2ncn(C(C)C)c2n1
CC(C)[C@H](CO)Nc1nc(Nc2ccc(F)c(Cl)c2)c2ncn(C(C)C)c2n1
COc1ccc(CNc2nc(NCCCO)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCO)nc12
C[C@H](CO)Nc1c(cnc(n1)Nc2ccc(cc2)S(=O)(=O)N)Br
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F |r|
COc1cc(F)ccc1-c1cc(NC(=O)[C@H]2CCC[C@H](C2)NC(C)=O)ncc1Cl |r|
c1cc(c(c(c1)Cl)C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3)Cl
CN1C\C=C\CCOc2cccc(c2)-c2ccnc(Nc3cccc(C1)c3)n2 |t:3|
CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)Nc1cc(-c2cnn3CC(C)(C)Cc23)c(Cl)cn1 |r|
COc1ccc(F)cc1-c1ccnc2[nH]c(cc12)C1=CCN(CC(O)CO)CC1 |t:21|
COc1ccc(F)cc1-c1c(F)cnc2[nH]c(cc12)C1=CCN(CC1)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:28.35,wD:25.28,t:22,(6.53,-1.01,;5.2,-.24,;3.86,-1.01,;3.86,-2.55,;2.53,-3.32,;1.2,-2.55,;-.14,-3.32,;1.2,-1.01,;2.53,-.24,;2.53,1.3,;3.86,2.07,;5.2,1.3,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-1.17,2.84,;-.27,1.6,;1.2,2.07,;-2.71,2.84,;-3.48,4.18,;-5.02,4.18,;-5.79,2.84,;-5.02,1.51,;-3.48,1.51,;-7.33,2.84,;-8.1,4.18,;-9.64,4.18,;-10.41,2.84,;-9.64,1.51,;-8.1,1.51,;-11.95,2.84,;-12.72,1.51,;-12.72,4.18,)|
CN1CCN(CC1)[C@H]1CC[C@H](CC1)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |wU:7.7,10.14,(2.19,-10.22,;1.73,-8.75,;2.75,-7.59,;2.29,-6.14,;.77,-5.83,;-.26,-6.95,;.21,-8.41,;.3,-4.36,;-1.21,-4.04,;-1.67,-2.57,;-.63,-1.42,;.86,-1.75,;1.33,-3.22,;-1.1,.05,;-.19,1.28,;-1.1,2.52,;-.61,4.01,;-1.63,5.13,;-1.16,6.58,;.35,6.92,;.84,8.36,;2.34,8.68,;2.81,10.15,;4.32,10.44,;5.35,9.29,;4.88,7.84,;3.36,7.52,;1.38,5.76,;.89,4.29,;-2.56,2.05,;-3.89,2.82,;-3.89,4.36,;-5.22,2.05,;-5.23,.54,;-3.9,-.26,;-2.57,.51,)|
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCCC1CCNCC1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCN(C)CC1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1
[H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r|
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1
C[C@H]1C[C@@H](C)C[C@H](C)[C@@H](O)\C(=C/C=C/C[C@H](OC(=O)C[C@H](O)[C@@H](C)C1)[C@@H]1CCC[C@H]1C(O)=O)C#N |c:10,t:12|
CCN(CC)CCOc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C(=C3)c4c(cccc4Cl)Cl)C
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
c1ccc(c(c1)C(=O)Nc2ccc(cc2)Cl)NCc3ccncc3
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CCN1CCOCCn2cc(C3=C(C(=O)NC3=O)c3cn(CCOCC1)c1ccccc31)c1ccccc21 |t:11|
C[C@H](Nc1cc(ccn1)-c1sc(nc1-c1ccc(F)cc1)C1CCN(C)CC1)c1ccccc1
CN1CCC(O)(CC1)c1cn(c(n1)-c1cccc(c1)C(F)(F)F)-c1ccnc(NC2CCCC2)n1
CN1CCN(CC1)c1ccc2n(c(nc2n1)-c1ccc(F)cc1)-c1ccnc(NC2CCCC2)n1
OC1(CCNCC1)c1nc(c(o1)-c1ccnc(NC2CCCCC2)c1)-c1ccc(F)cc1
CN(C)C(=O)c1ccc(Nc2ncc(c(N[C@@H]3CC[C@H](N)CC3)n2)C(F)(F)F)cc1 |r,wU:16.15,19.19,(85.12,-20.14,;83.79,-20.91,;83.79,-22.45,;82.45,-20.15,;82.45,-18.61,;81.12,-20.92,;81.12,-22.46,;79.79,-23.23,;78.46,-22.46,;77.13,-23.24,;75.79,-22.47,;74.46,-23.24,;73.12,-22.47,;73.12,-20.92,;74.45,-20.15,;74.45,-18.61,;75.78,-17.84,;77.11,-18.61,;78.44,-17.84,;78.44,-16.3,;79.78,-15.53,;77.11,-15.53,;75.77,-16.3,;75.79,-20.92,;71.79,-20.15,;71.79,-18.61,;70.46,-20.93,;70.45,-19.38,;78.45,-20.93,;79.78,-20.15,)|
Cn1ccc2cc(Nc3ncc(c(N[C@@H]4CC[C@H](N)CC4)n3)C(F)(F)F)ccc2c1=O |r,wU:14.13,17.17,(14.79,-47.72,;13.46,-48.49,;13.46,-50.03,;12.13,-50.8,;10.79,-50.04,;9.46,-50.81,;8.13,-50.04,;6.8,-50.81,;5.46,-50.05,;4.13,-50.82,;2.79,-50.05,;2.79,-48.5,;4.12,-47.73,;4.12,-46.19,;5.45,-45.42,;6.78,-46.19,;8.11,-45.42,;8.11,-43.88,;9.45,-43.11,;6.78,-43.11,;5.44,-43.88,;5.46,-48.5,;1.46,-47.73,;1.46,-46.19,;.13,-48.5,;.12,-46.96,;8.12,-48.51,;9.45,-47.73,;10.79,-48.5,;12.12,-47.72,;12.12,-46.18,)|
O=C(N1CCCC1)c1ccc(cc1)-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(ccc1-c1ccnc2[nH]c(nc12)-c1ccc(CN2CCOCC2)cc1)C(=O)N1CCCC1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCNCC1
COc1cc(F)ccc1-c1ccnc2[nH]c(nc12)C1CCC(C1)NC(C)=O
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1
COc1cc(ccc1-c1ccnc2[nH]c(cc12)C1CCNCC1)C(=O)N1CCCC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCCC2)CC1
CC(C)n1cc(ccc1=O)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N2CCCC2)CC1
CC(C)n1c(C)nc2ccc(cc12)-c1ccnc2[nH]c(cc12)C1CCN(CC(=O)N(C)C)CC1
CC(C)n1cnc2c(NCc3nc4ccc(F)c(F)c4[nH]3)nc(nc12)N1CCCC[C@H]1CCO |r|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cnc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccs3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3cccnc3)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3csc4ccccc34)c3ccccc23)c2ccccc12 |t:9|
CN(C)CCCn1nc(C2=C(C(=O)NC2=O)c2cn(-c3ccc4ccccc4c3)c3ccccc23)c2ccccc12 |t:9|
C[C@H]1C[C@@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O |r|
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
Fc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2nc[nH]c2c1
FC(F)(F)c1cnc(Nc2ccccc2Cl)nc1Nc1ccc2nc[nH]c2c1
COc1cccc(Sc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)c1
Fc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
COc1cccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)c1
CN(c1cccc(Cl)c1)c1ncc(c(Nc2ccc3nc[nH]c3c2)n1)C(F)(F)F
NS(=O)(=O)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1
FC(F)(F)c1ccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)cc1
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc2OCOc2c1
Cc1ccccc1Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
Clc1cccc(CNc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)c1Cl
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Oc2cccnc2)cc1
Brc1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
COc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
Clc1cccc(Nc2ncc(Br)c(Nc3ccc4nc[nH]c4c3)n2)c1
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCc2ccccc12
CCOc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2cccc(Cl)c2)nc1Nc1ccc2nc[nH]c2c1
Brc1cnc(Nc2ccc(Oc3cccnc3)cc2)nc1Nc1ccc2nc[nH]c2c1
N(c1ccc2nc[nH]c2c1)c1ccnc(Nc2ccc3nc[nH]c3c2)n1
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Oc1ccc(Br)cc1
Fc1ccc(Nc2nc(Nc3ccc4nc[nH]c4c3)ncc2Br)cc1
FC(F)(F)c1cnc(Nc2ccc3[nH]ccc3c2)nc1Nc1ccc2[nH]ccc2c1
Fc1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
Cc1ccccc1Sc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1cccc(Cl)c1
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Oc1ccc(Cl)cc1
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCCc2ccccc12
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccc(Cl)cc1
CC(C)COc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1OC1CCCCC1
FC(F)(F)c1cnc(Nc2ccc(NC#N)c(NC#N)c2)nc1Nc1ccc2nc[nH]c2c1
FC(F)(F)c1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc2nc[nH]c2c1
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1Nc1ccccc1Cl
FC(F)(F)c1ccc(Oc2nc(Nc3ccc4nc[nH]c4c3)ncc2C(F)(F)F)cc1
Cc1cccc(Nc2ncc(c(Nc3ccc4nc[nH]c4c3)n2)C(F)(F)F)c1
CC(C)Oc1nc(Nc2ccc3nc[nH]c3c2)ncc1C(F)(F)F
N(c1ccc2[nH]ccc2c1)c1ccnc(Nc2ccc3[nH]ccc3c2)n1
CC1(C)c2oc3cc(ccc3c2C(=O)c2ccc(OCCN3CCOCC3)cc12)C#Cc1cc(OCC2CC2)ccn1
Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C
COC(=N)c1nc2ccc3c(c2s1)c(ncn3)Nc4ccc(cc4Cl)Cl
COC(=N)c1nc2ccc3ncnc(Nc4ccc5OCOc5c4)c3c2s1
COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4)c3c2s1
COC(=N)c1nc2ccc3ncnc(Nc4ccc(Br)cc4F)c3c2s1
OCCCNc1cncc(n1)-c1ncnc(Nc2cccc(Cl)c2)n1
OCCCNc1cncc(c1)-c1ncnc(Nc2ccc(cc2)N2CCOCC2)n1
OCCCNc1cncc(c1)-c1ncnc(Nc2ccc3OCCOc3c2)n1
Nc1nc(Nc2cccc(Cl)c2)nc(n1)-c1ccnc(NCCCO)c1
OCCCNc1cncc(c1)-c1ncnc(Nc2cccc(Cl)c2)n1
OCCCNc1cc(ccn1)-c1ncnc(Nc2cccc(Cl)c2)n1
NS(=O)(=O)c1ccc(Nc2ncc3c(n2)N(C2CCCC2)C(=O)C32CC2)cc1
CS(=O)(=O)N1CCC(CC1)Nc1ncc2c(n1)N(C1CCCC1)C(=O)C21CC1
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
CN1CC[C@H]([C@@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Sc1ccccc1Cl)cc2=O |r|
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)C1CCCC[C@H]1CCO |r|
Cn1cc(C2=C(C(=O)NC2=O)c2ccc(Cl)cc2Cl)c2ccccc12 |t:4|
COCCN1CCN(Cc2ccc(cc2)-c2n[nH]c3-c4cccc(NC(=O)NN5CCOCC5)c4C(=O)c23)CC1
c1cc(c(c(c1)F)C(=O)n2c(nc(n2)Nc3ccc(cc3)S(=O)(=O)N)N)F
COc1cc2Cc3c(Nc4cccc(F)c4)[nH]nc3-c2cc1OC
CNc1nc(C(=O)\C=C\c2ccc(OC)cc2)c(C)s1
CN1CCN(Cc2cnc(Nc3ncc(s3)-c3cc(C)nc(OC4CCCCC4)n3)cn2)CC1
C1CCC(CC1)Oc1nccc(n1)-c1cnc(Nc2ccccn2)s1
Cc1cc(nc(OC2CCCCC2)n1)-c1cnc(Nc2ccccn2)s1
Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCC(O)=O)nn1C(=O)c1c(F)cccc1F
Nc1nc(Nc2ccc(cc2)S(=O)(=O)NC(=O)CCN2CCOCC2)nn1C(=O)c1c(F)cccc1F
N[C@H](CO)C(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
CN1CCN(CCC(=O)NS(=O)(=O)c2ccc(Nc3nc(N)n(n3)C(=O)c3c(F)cccc3F)cc2)CC1
COCCOCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
CCOC(=O)CCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
NCC(=O)NS(=O)(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
COC[C@@H](C)N[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1cccc(NCC2(CCOCC2)C#N)n1 |r,wU:9.12,wD:6.5,3.3,(7.56,1.68,;6.23,2.45,;4.9,1.68,;3.56,2.45,;3.56,3.99,;2.23,1.68,;.89,2.45,;.89,3.99,;-.44,4.76,;-1.77,3.99,;-1.77,2.45,;-.44,1.68,;-3.11,4.76,;-4.44,3.99,;-4.44,2.45,;-5.77,1.68,;-7.11,2.45,;-8.44,1.68,;-7.11,3.99,;-5.77,4.76,;-5.77,.14,;-7.11,-.63,;-7.11,-2.17,;-5.77,-2.94,;-4.44,-2.17,;-3.11,-2.94,;-1.77,-2.17,;-.44,-2.94,;-.44,-4.48,;.89,-5.25,;2.23,-4.48,;2.23,-2.94,;.89,-2.17,;-.44,-1.4,;-.44,.14,;-4.44,-.63,)|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)S(C)(=O)=O)n1
CN1CC[C@H]([C@@H]1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
CC(=O)N1N=C(CC1c1ccccc1Cl)c1c(O)c2ccccc2oc1=O |c:4|
COc1ccc2c(c1)[nH]c1c(C)nccc21
CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
C[C@]1(CCC[C@H]1N2c3c(cnc(n3)NC4CCN(CC4)S(=O)(=O)C)C=C(C2=O)C(F)F)O
O[C@H](CNc1cncc(c1)-c1ccc2[nH]nc(NC(=O)c3ccc(NC(=O)C=C)cc3)c2c1)c1ccccc1 |r|
COc1ccc(Nc2nn3c(cc(nc3c2C(N)=O)-c2ccccc2)-c2ccccc2)c(OC)c1
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N1CCCC[C@@H]1CCO |r|
OCCOCCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Cl)c3)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C(F)(F)F)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(c3)C#N)c(O)c(=O)c2c1
Cc1cc2c(c(c1)N3CCCS3(=O)=O)OC(=C(C2=O)O)c4ccc(c(c4)O)O
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)c(Br)c3)c(O)c(=O)c2c1
Cc1cc(N2CCCS2(=O)=O)c2oc(-c3ccc(O)cc3)c(O)c(=O)c2c1
CS(=O)(=O)N1CCC2(CC1)NC(=O)C(=N2)c1ccc(Br)cc1 |c:14|
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@@H]6CNCCO6)c45)ccc23)c1
O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1 |wU:4.7,wD:1.0,(19.77,-1.9,;21.02,-1.01,;22.42,-1.66,;23.69,-.77,;23.53,.76,;22.14,1.41,;20.89,.52,;24.79,1.65,;26.19,1.01,;26.33,-.53,;27.44,1.9,;27.3,3.44,;28.55,4.33,;29.95,3.7,;30.1,2.15,;31.61,1.81,;32.4,3.14,;33.83,3.77,;33.68,5.31,;32.16,5.65,;31.37,4.31,;35.16,2.99,;35.15,1.44,;36.46,.66,;37.81,1.42,;37.82,2.96,;36.49,3.74,;39.13,.64,;39.12,-.9,;40.44,-1.67,;41.78,-.91,;43.11,-1.69,;41.78,.63,;40.46,1.4,;28.85,1.26,)|
Oc1ccc(cc1)-c1ccc(cc1)-c1n[nH]c-2c1Cc1cc(ccc-21)C(=O)NCc1ccncc1
NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:7.8,t:1|
c1cc2cc(ccc2nc1)/C=C/3C(=O)N=C(S3)NCc4cccs4
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)SC1=Cc1ccc2ncccc2c1 |w:16.19,t:2|
OC[C@@H](Cc1ccccc1)NC1=NC(=O)C(S1)=Cc1ccc2ncccc2c1 |w:17.19,t:12|
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3cc[nH]c23)cc1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2n[nH]c3ccccc23)cc1
Clc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3cc[nH]c3c2)cc1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc3[nH]ccc3c2)cc1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2c[nH]c3ccccc23)cc1
CNCCc1ccc(Nc2ncc(Cl)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccs2)cc1
CCN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3ccc4cc[nH]c4c3)cc2)CC1
CN1CCN(CCc2ccc(Nc3ncc(Cl)c(n3)-c3c[nH]c4ccccc34)cc2)CC1
CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(Br)c2)ncc1Cl
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2sc(C)nc2C)cc1
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCCC3)cc2)ncc1Cl
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1Cl
CC(C)(c1ccc(cc1)c2c(cnc(n2)Nc3ccc(cc3)CCN4CCOCC4)Cl)N
CN(C)CCc1ccc(Nc2ncc(Cl)c(n2)-c2cccc3[nH]ccc23)cc1
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
O=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1ccc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
FC(F)(F)c1cc(NC(=O)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)ccc1Cl
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c3ccccc23)cc1
S=C(Nc1ccccc1)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
COc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
Clc1cccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)c1
Clc1ccc(NC(=S)N2CCN(CC2)c2nnc(Cc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccccc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(OC)cc3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3cccc(Cl)c3)c3ccccc23)cc1
COc1ccc(Cc2nnc(N3CCN(CC3)C(=S)Nc3ccc(Cl)cc3)c3ccccc23)cc1
O=C(N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12)c1ccccc1
COc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
Clc1ccc(cc1)C(=O)N1CCN(CC1)c1nnc(Cc2ccccc2)c2ccccc12
COc1ccc(Cc2nnc(N3CCN(CC3)C(=O)c3ccccc3)c3ccccc23)cc1
CCc1cnn2c(NCc3nc4ccc(F)c(F)c4[nH]3)cc(nc12)N1CCCC[C@H]1CCO |r|
CCc1nccn1CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(cc2)C(C)(C)N)cc1
N#Cc1cnc(Nc2ccc3ccccc3c2)nc1-c1ccccc1
N#Cc1cnc(Nc2nc3ccccc3[nH]2)nc1-c1ccccc1
N#Cc1cnc(Nc2ncccn2)nc1-c1ccccc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cccs2)cc1
Cc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
COc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2nc3ccccc3s2)cc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc(Br)cc2)cc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCN3CCOCC3)cc2)ncc1C#N
CC(C)(O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
NS(=O)(=O)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
N#Cc1cnc(Nc2ccc(CCN3CCCC3)cc2)nc1-c1ccccc1
N#Cc1cnc(Nc2cccc(CN3CCOCC3)c2)nc1-c1ccccc1
Cc1cc2cc(Nc3ncc(C#N)c(n3)-c3ccccc3)ccc2[nH]1
COc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
COc1cc(Nc2ncc(C#N)c(n2)-c2ccccc2)ccc1CN1CCCC1
Clc1ccccc1Nc1ncc(C#N)c(n1)-c1ccccc1
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(OCCN3CCOCC3)cc2)ncc1C#N
CC(C)(N)c1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
N#Cc1cnc(Nc2ccccc2)nc1-c1ccccc1
CC(C)(C)c1nc(Nc2ccc(CCO)cc2)ncc1C#N
O=C(CCc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1)N1CCOCC1
CC(C)(N)c1ccc(cc1)-c1nc(Nc2cccc(CCN3CCOCC3)c2)ncc1C#N
COc1ccc(cc1)-c1nc(Nc2ccc(CCO)cc2)ncc1C#N
Clc1ccc(Nc2ncc(C#N)c(n2)-c2ccccc2)cc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2ccc3[nH]ccc3c2)cc1
COc1cccc(Nc2ncc(C#N)c(n2)-c2ccccc2)c1
N#Cc1cnc(Nc2ccc(CN3CCCC3)cc2)nc1-c1ccccc1
OCCc1ccc(Nc2ncc(C#N)c(n2)-c2cc3ccccc3[nH]2)cc1
CN1CCN(CCc2ccc(Nc3ncc(C#N)c(n3)-c3ccc(cc3)C(C)(C)N)cc2)CC1
CC(C)NC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1ccncc1
CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(F)cc4[nH]3)c2c1
OC(=O)c1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
Cc1cccc2[nH]c(nc12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4ccc(OC)cc4[nH]3)c2c1
COC(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cnc2ccccc2c1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncnc1
COCc1cccc2nc([nH]c12)-c1nn(C)c2ncc(cc12)-c1cncc2ccccc12
CCNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cc(F)c(F)cc4[nH]3)c2c1
CCN(CC)Cc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cccnc1
CCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(cc4[nH]3)N3CCN(C)CC3)c2c1
CC(C)OCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
CNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)c2c1
c1ccc2[nH]c(nc2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
CCCNCc1cncc(c1)-c1cnc2[nH]nc(-c3nc4cccc(COC)c4[nH]3)c2c1
COCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc(CN(C)C)c1
CNCc1cncc(c1)-c1cnc2n[nH]c(-c3nc4cccc(COC)c4[nH]3)c2c1
OCc1cccc2nc([nH]c12)-c1[nH]nc2ncc(cc12)-c1cncc2ccccc12
CCNCc1cncc(-c2cnc3[nH]nc(-c4nc5cccc(COC)c5[nH]4)c3c2)c1C
CC(C)NCc1cccc2nc([nH]c12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
C1CN(CCO1)c1ccc2nc([nH]c2c1)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
CCN(CC)C(=O)c1cccc2[nH]c(nc12)-c1n[nH]c2ncc(cc12)-c1cncc2ccccc12
NC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
COc1ccc(CNC(=O)Cn2cc(COc3ccc4c(C)cc(=O)oc4c3C)nn2)cc1
CNC(=O)c1nn(C)c-2c1C(C)(C)Cc1cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc-21
CC(C)N1CCN(C(=O)c2ccnc(Nc3cc(-c4ccc5nnn(C(C)C)c5c4)ccn3)c2)CC1
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCC5)ccn4)c3)cc21
CC(C)n1nnc2ccc(-c3ccnc(Nc4cc(C(=O)N5CCCN(C)CC5)ccn4)c3)cc21
CS(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(c1)-c1ccc(cc1Cl)C#N)C(F)(F)F
CNCc1ccc(c(Cl)c1)-n1cc(cn1)-c1nc(NC2CCN(CC2)S(C)(=O)=O)ncc1C#N
Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(c(n1)-c1cnn(CC(F)(F)F)c1)C(F)(F)F
Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc(C#N)c(n1)-c1cnn(CC(F)(F)F)c1
FC(F)(F)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)c2ccccn2)ncc1C#N
CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)C2CC2)ncc1C(F)(F)F
CC(C)(O)Cn1cc(cn1)-c1nc(NC2CCN(CC2)S(=O)(=O)C2CC2)ncc1C#N
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cncc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ccnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3cnnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3noc(C)c3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cnc3C(C)(C)O)C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(Cl)c3C2)c2nc(C)c(C)nc21
N#Cc1cnn2c1CN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc13)CC2
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3ncc(C(F)(F)F)c3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)c2nc(C)c(C)nc21
Cc1cc2n(n1)CCN(C(=O)c1c(N)n(-c3c(C)ccc(O)c3C)c3nc(C)c(C)nc13)C2
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCc3nccnc3C2)c2nc(C)c(C)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3c(cccc3=O)C2)c2nc(C)c(C)nc21
Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)c(C)nc21
CC#Cc1nc2c(C(=O)N3CCn4ncnc4C3)c(N)n(-c3c(C)ccc(O)c3C)c2nc1C
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(C3CCN(C)CC3)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C)c(N3CCC[C@@H](O)C3)nc21
Cc1ccc(O)c(C)c1-n1c(N)c(C(=O)N2CCn3nccc3C2)c2nc(C3CC3)cnc21
CC(C)c1c2cc(-c3ccnc(Nc4ccc5c(N6CCN(C)CC6)ncnc5c4)n3)ccc2nn1C
CN(C)C(=O)c1cc2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2n1C1CCCC1
CN(C)c1ccc(/C=N/c2c(N)n(C)c(=O)[nH]c2=O)cc1
CC(=O)c1c(C)c2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n(C2CCCC2)c1=O
Cn1cc(cn1)-n1cnc2c(NCc3nc4cc(Cl)c(Cl)cc4[nH]3)nc(nc12)N1CCOCC1
CC(=O)N[C@H]1CC[C@H](c2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)CC1
NC(=O)c1cccc2[nH]c(NC(=O)c3cccc(C(=O)N4CCC(Nc5ncc(I)cn5)CC4)c3)nc12
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
COc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(cc4)NC(=O)c5ccccc5
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
C[C@@]1(O)C[C@@H](C1)c1nc(-c2ccc3ccc(nc3c2)-c2ccccc2)c2c(N)nccn12 |r,wU:1.1,4.6,wD:1.0,(18.42,-37.26,;17.1,-36.49,;16.31,-37.82,;17.79,-35.11,;16.41,-34.42,;15.72,-35.8,;15.93,-32.97,;16.83,-31.71,;15.91,-30.47,;16.38,-29.01,;15.35,-27.88,;15.81,-26.41,;17.32,-26.08,;17.78,-24.62,;19.27,-24.29,;20.31,-25.42,;19.85,-26.89,;18.35,-27.21,;17.89,-28.68,;21.81,-25.09,;22.85,-26.23,;24.35,-25.9,;24.82,-24.43,;23.77,-23.29,;22.27,-23.63,;14.45,-30.96,;13.11,-30.19,;13.11,-28.65,;11.78,-30.96,;11.78,-32.51,;13.12,-33.28,;14.46,-32.5,)|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3-c3ccc4ncccc4c3)C(C)(C)C)c(F)c2)ccn1
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc12 |r,t:7|
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
CCN(CC)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Fc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
CN(C)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
CS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc2ccccc2c1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Clc1ccccc1CC(=O)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Oc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Cc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
CSc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Cc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc(cc1)N1CCCCC1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Brc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1ccc(cc1)-c1ccccc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Brc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
Clc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
O=C(Cc1cccc2ccccc12)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Fc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
O=C(Cc1ccc(cc1)-c1ccncc1)Nc1n[nH]c2ccc(cc12)N1CCCS1(=O)=O
Nc1ccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)cc1
Clc1cccc(CC(=O)Nc2n[nH]c3ccc(cc23)N2CCCS2(=O)=O)c1
Cn1c2c(NCCS(O)(=O)=O)ncnc2[nH]c1=O
CS(=O)(=O)c1cccc(c1)CNc2c(cnc(n2)Nc3ccc4c(c3)CCC(=O)N4)C(F)(F)F
OC(=O)CCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
CN(C)CC(O)Cn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CNCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCN3CCOCC3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl
OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OC(C)C
CCCCOC(=N)c1nc2ccc3ncn(CC)c(=O)c3c2s1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)OCCc1ccccc1
CCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
CC(C)OC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
CCCCOC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)OCc1ccccc1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NC(C)C
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
CCn1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
CC(C)NC(=N)c1nc2ccc3ncn(C(C)C)c(=O)c3c2s1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCc1ccccc1
CC(C)n1cnc2ccc3nc(sc3c2c1=O)C(=N)NCCN(C)C
[O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc3nc[nH]c23)cc1
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)C#Cc2ccccc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccc(C=O)cc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccco2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)N2CCCCC2)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(NC(C)=O)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1 |w:12.12|
CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(cc3)N3CCN(C)CC3)c2c1 |w:15.15|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)[N+]([O-])=O)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3cc(Br)ccc23)cc1 |w:12.12|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:12.14|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(CN2CCOCC2)cc1 |w:12.14|
O=C1NC(=O)c2ccccc2C1=CNc1ccc(cc1)N1CCOCC1 |w:12.14|
Brc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
CN1CCN(CC1)c1cnc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ncc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1F |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cn1 |w:12.12|
CN1CCN(CC1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)nc1 |w:12.12|
C[C@@H]1CN([C@@H](C)CN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
CC1CN(CCN1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.13|
C[C@H]1CN(C[C@@H](C)N1C)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:14.14|
C[C@H]1CN(C[C@@H](C)N1)c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |r,w:13.13|
CN1CC2CC1CN2c1ccc(NC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1 |w:13.14,THB:0:1:7.6:4|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)C#N |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccc(Oc2ccccc2)cc1 |w:12.14|
COc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
COc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:18.19|
Oc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Oc1cccc(c1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Clc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
Fc1ccc(cc1)-c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccsc1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1cccnc1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccoc1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-c1ccccc1 |w:12.14|
O=C1NC(=O)c2ccc(Nc3ccccc3)cc2C1=CNc1ccc(CN2CCCCC2)cc1 |w:19.22|
CN1CCN(CC1)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:17.18|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCOCC1 |w:12.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)N1CCCCC1 |w:12.14|
CC(=O)Nc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:14.14|
O=C1NC(=O)c2ccc(cc2C1=CNc1ccc(CN2CCCCC2)cc1)-n1cccc1 |w:12.14|
CN(C)C(=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:15.15|
Ic1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
[O-][N+](=O)c1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:13.13|
COc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:12.12|
Clc1ccc2C(=O)NC(=O)C(=CNc3ccc(CN4CCCCC4)cc3)c2c1 |w:11.11|
COc1ccc(cc1O)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1OC)-c1coc2C(=O)c3cccn3-c12
COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(N=O)c3cccn3-c12
COc1ccc(cc1O)-c1c[nH]c2C(N=O)c3cccn3-c12
COc1ccc(cc1OCc1ccccc1)-c1csc2C(=O)c3cccn3-c12
COc1ccc(cc1O)-c1csc2C(=O)c3cccn3-c12
Clc1ccc(cc1)-c1c[nH]c2C(=O)c3cccn3-c12
COc1ccc(cc1OCc1ccccc1)-c1c[nH]c2C(=O)c3cccn3-c12
Cc1c(Nc2c(cnc3sc(\C=C\C(=O)N4CCCC4)cc23)C#N)ccc2[nH]ccc12
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)Nc1ccccc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1-c1nnc(CCN2CCOCC2)o1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NNC(=O)CCN1CCOCC1
NNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COc1ccc(NC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)OCc1cccc(F)c1
CCN(CC)C(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COCCNC(=O)c1c(N)ncnc1Nc1ccc(OCc2ccccc2)c(Cl)c1
COc1ccc(CCNC(=O)c2c(N)ncnc2Nc2ccc(OCc3ccccc3)c(Cl)c2)cc1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCOCC1
Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)NCCN1CCCCC1
O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c12
Oc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
COc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
O=C1NCc2cccc(-c3cc4cc(OCCN5CCOCC5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4cc(OCCCN5CCCCC5)ccc4[nH]3)c12
O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c12
OCCCOc1ccc2[nH]c(cc2c1)-c1cccc2CNC(=O)c12
OC1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
CCN1CCN(CCCOc2ccc3[nH]c(cc3c2)-c2cccc3CNC(=O)c23)CC1
CN1Cc2cccc(-c3cccn3C(=O)OC(C)(C)C)c2C1=O
C[C@@H]1CNC[C@@H](C1)C(=O)Nc1ncc(SCc2ncc(o2)C(C)(C)C)s1 |r|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(C(=O)NC3CCN(C)CC3)c(F)c2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(C(=O)NCCN(C)C)c(F)c2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)N(C)C)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CC[C@H](C2)N(C)C)ncc1F |r|
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCCN(C)CC2)ncc1F
CCCN(C)[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CC[C@@H](C2)NC2CC2)n1 |r|
CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2nccc(n2)-c2cnc(C)n2C(C)C)cc1 |r|
CN[C@H]1CCN(C1)C(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(C)n2C(C)C)cc1 |r|
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)N2CCN(C)CC2)ncc1F
CC(C)n1c(C)ncc1-c1ccnc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)n1
CC(C)n1c(C)ncc1-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1F
NS(=O)(=O)c1ccc(Nc2nc3ncnc(Nc4c(F)cccc4F)c3s2)cc1
Oc1cccc(CNC=C2C(=O)NC(=O)c3ccccc23)c1 |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(F)cc23)cc1O |w:8.7|
Nc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:7.6|
COc1cc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc(O)c1OC
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Cl)cc23)cc1O |w:8.7|
COc1ccc(CN(C)\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
COc1ccc(cc1O)C(C)N\C=C1/C(=O)NC(=O)c2ccc(Br)cc12
Oc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
CCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:9.8|
COCCOc1ccc(CN\C=C2/C(=O)NC(=O)c3ccc(Br)cc23)cc1O
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccncc1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1cccnc1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccn1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccoc1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccco1 |w:6.5|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ccc1-c1ccccc1 |w:6.5|
Cc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:7.6|
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1O |w:10.9|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccccc2)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccoc2)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-c2ccsc2)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(cc23)-n2cccc2)cc1O |w:8.7|
COc1ccc2C(=O)NC(=O)C(=CNCc3ccc(OC)c(O)c3)c2c1 |w:12.12|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3cccc(Br)c23)cc1O |w:8.7|
COc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:8.7|
Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1 |w:7.6|
Oc1ccc(CNC=C2C(=O)NC(=O)c3ccccc23)cc1O |w:7.6|
Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccoc4)c(=O)c3)c2c1 |w:11.11|
Ic1ccc2C(=O)NC(=O)C(=CNCc3ccn(-c4ccccc4)c(=O)c3)c2c1 |w:11.11|
Brc1ccc2C(=O)NC(=O)C(=CNCc3cc[nH]c(=O)c3)c2c1 |w:11.11|
COc1coc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)cc1=O |w:8.7|
COc1cc(CNC=C2C(=O)NC(=O)c3ccc(Br)cc23)ccn1 |w:7.6|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)ncc1-c1ccoc1 |w:6.5|
CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccoc3)c2c1 |w:14.14|
Oc1cc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)ncc1-c1ccoc1 |w:6.5|
CC(C)(C)c1ccc2C(=O)NC(=O)C(=CNCc3cc(O)c(cn3)-c3ccccc3)c2c1 |w:14.14|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C2CCCC2)cc1O |w:10.9|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(cc23)C(C)(C)C)cc1O |w:10.9|
CCCOc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:8.7|
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:10.9|
COc1cnc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)[nH]c1=O |w:8.7|
CCCOc1ccc(CNC=C2C(=O)NC(=O)c3ccc(I)cc23)cc1O |w:10.9|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(F)c(Cl)cc12 |t:4|
COc1cccc2c(coc12)C1=C(C(=O)NC1=O)c1cn(C)c2cc(Cl)c(F)cc12 |t:13|
Cn1cc(C2=C(C(=O)NC2=O)c2coc3cc(CO)ccc23)c2cc(Br)ccc12 |t:4|
COCc1cccc2c(cn(C)c12)C1=C(C(=O)NC1=O)c1coc2ccccc12 |t:15|
Cn1cc(c2c1cc(c(c2)F)I)C3=C(C(=O)NC3=O)c4coc5c4cccc5OC
COc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1OC
Oc1cc2cccc[n+]2c2c(Cl)cccc12
CC(C)(C)c1cnc(CSc2cnc(N[C@H]3CC[C@H](N)CC3)s2)o1 |r,wU:18.18,wD:15.14,(8.72,-8.28,;10.22,-8.69,;10.66,-7.21,;9.78,-10.17,;11.68,-9.16,;12.15,-10.63,;13.7,-10.63,;14.18,-9.16,;15.64,-8.69,;16.79,-9.72,;18.25,-9.25,;19.5,-10.16,;20.74,-9.25,;20.27,-7.78,;21.18,-6.54,;22.71,-6.53,;23.48,-7.86,;25.01,-7.86,;25.78,-6.53,;27.32,-6.53,;25.01,-5.2,;23.47,-5.2,;18.73,-7.78,;12.93,-8.25,)|
CCCCc1c([nH]c2nccnc12)-c1ccc(O)cc1
CCCCc1c(-c2ccc(O)cc2)n(C)c2nccnc12
NNc1nn2c(COc3ccc(Cl)cc3)nnc2s1
Clc1ccc(OCc2nnc3sc(Cc4[nH]nc5[nH]c(=S)[nH]c(=S)c45)nn23)cc1
Cc1nnc2sc(nn12)-c1ccc(N)cc1
Nc1ccc(cc1)-c1nn2c(Cc3ccccc3)nnc2s1
Nc1nc(O)c(Cc2nn3c(Cc4ccccc4)nnc3s2)s1
CCSc1nn2c(C)nnc2s1
CCSc1nn2c(Cc3ccccc3)nnc2s1
Clc1ccc(OCc2nnc3sc(SCc4ccccc4)nn23)cc1
NNc1nn2c(Cc3ccccc3)nnc2s1
Cc1nnc2sc(Cc3[nH]nc4[nH]c(=S)[nH]c(=S)c34)nn12
Cc1nnc2sc(SCc3ccccc3)nn12
CCSc1nn2c(COc3ccc(Cl)cc3)nnc2s1
C(Sc1nn2c(Cc3ccccc3)nnc2s1)c1ccccc1
Sc1nn2c(Cc3ccccc3)nnc2s1
Cc1nnc2sc(NN)nn12
Cc1nnc2sc(S)nn12
S=c1[nH]c2n[nH]c(Cc3nn4c(Cc5ccccc5)nnc4s3)c2c(=S)[nH]1
Cc1nnc2sc(Cc3sc(N)nc3O)nn12
Clc1ccc(OCc2nnc3sc(SSc4nn5c(COc6ccc(Cl)cc6)nnc5s4)nn23)cc1
Cc1nnc2sc(SSc3nn4c(C)nnc4s3)nn12
Nc1ccc(cc1)-c1nn2c(COc3ccc(Cl)cc3)nnc2s1
C(c1nnc2sc(SSc3nn4c(Cc5ccccc5)nnc4s3)nn12)c1ccccc1
Nc1nc(O)c(Cc2nn3c(COc4ccc(Cl)cc4)nnc3s2)s1
Sc1nn2c(COc3ccc(Cl)cc3)nnc2s1
COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1
C[C@@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4OCCc4c23)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4oc(cc4c23)-c2ccccc2)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccncc2)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cccnc2)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cncnc2)C(=O)N1 |r|
COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
COc1cccc(c1)-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2F)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2ccccc2C)C(=O)N1 |r|
C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)-c2cnccc2C)C(=O)N1 |r|
CCCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
COc1ccc2sc3c(NC[C@@H](CNCc4ccccc4)NC3=O)c2c1 |r|
COc1ccc2sc3c(NC[C@@H](CN(C)Cc4ccccc4)NC3=O)c2c1 |r|
C[C@@H]1CNc2c(sc3ccc(O)cc23)C(=O)N1 |r|
COc1cccc(COc2ccc3sc4c(NC[C@@H](C)NC4=O)c3c2)c1 |r|
C[C@@H]1CNc2c(sc3ccc(OCC4CC4)cc23)C(=O)N1 |r|
COCCOc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
CC(C)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
COC(=O)COc1ccc2sc3c(NC[C@@H](C)NC3=O)c2c1 |r|
COc1ccc2sc3c(NCCNC3=O)c2c1
COc1ccc2sc3c(NC[C@H](C)NC3=O)c2c1
COc1ccc2sc3c(NC[C@@H](CO)NC3=O)c2c1 |r|
COc1ccc2sc3c(SCCNC3=O)c2c1
COc1ccc2sc3c(CCCNC3=O)c2c1
COc1ccc2c(c1)c3c(s2)C(=O)N[C@@H](CN3)CN
CCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1 |r|
Cc1ccc(o1)-c1ccc2occ(-c3ccc(cc3)[S@](C)=O)c2c1 |r|
CC[S@](=O)c1ccc(cc1)-c1coc2ccc(cc12)-c1ccc(C)o1 |r|
Cc1c(I)c(=O)n(C2CCCC2)c2nc(Nc3ccc(cc3)N3CCNCC3)ncc12
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
CN(C)CCOc1ccc2Nc3c(C(N)=O)c(nn3CCc2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1c(N)c([nH]c1-c1ccc(Oc2ccccc2)cc1)C(=O)c1c(F)cccc1F
C[C@@H](Oc1ccc2ncc(\C=C\C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl |r|
C[C@@H](Oc1ccc2ncc(cc2c1)C1CC1C(N)=O)c1c(Cl)ccc(F)c1Cl |r|
COc1c(O)cc2C(=O)Nc3cc4ccc(O)cc4c1c23
CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Oc1[nH]c2c(Br)cccc2c1-c1[nH]c2ccccc2c1N=O |(-1.26,-17.11,;-.79,-15.64,;.68,-15.16,;.67,-13.63,;1.81,-12.6,;3.27,-13.08,;1.49,-11.1,;.02,-10.63,;-1.11,-11.66,;-.79,-13.15,;-1.69,-14.4,;-3.23,-14.4,;-4.14,-15.67,;-5.62,-15.19,;-6.96,-15.96,;-8.3,-15.19,;-8.3,-13.64,;-6.96,-12.87,;-5.63,-13.63,;-4.15,-13.15,;-3.67,-11.68,;-4.97,-10.17,)|
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
N[C@H](CNc1ncc(s1)-c1ccc2NC(=O)Cc2c1)Cc1ccc(cc1)C(F)(F)F |r|
CC[C@H](CO)Nc1nc(Nc2cccc(c2)-c2ccccn2)c2ncn(C(C)C)c2n1 |r|
CCCC(=O)Nc1n[nH]c2cc(Cl)c(cc12)-c1ccccc1
CCCC(=O)Nc1n[nH]c2c(F)c(Cl)c(cc12)-c1ccccc1
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2cc(nn12)-c1ccncc1
Cn1cc(\C=C2/Oc3cccc(O)c3C2=O)c2c(ccnc12)-c1ccc(cc1)C(=O)NCCO
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CC(C)(C)OC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(CNC(C)=O)cc2)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Cc1nc(N)sc1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
COc1cc(Nc2nccc(n2)-c2sc(C)nc2C)cc(OC)c1OC
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(N)cc2)n1
Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)S(C)(=O)=O)n1
CCNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CNc1nc(C)c(s1)-c1ccnc(Nc2cc(OC)c(OC)c(OC)c2)n1
CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(cc2)N2CCN(CC2)C(C)=O)n1
CNc1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
OC(=O)c1ccc(cc1)C(=O)C(\SCc1ccc(Br)cc1)=C/c1ccc(F)c(c1)[N+]([O-])=O
COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cc(NC=O)ccc2C(=O)N(C)C)n1
COC(=O)c1cc(NC(C)=O)ccc1S(=O)(=O)c1ccc(NC(C)=O)cc1C(=O)OC
CCN(CCO)CCCNc1ccnc2cc(Cl)ccc12
OCCN(CCO)Cc1cc(Cl)c2cccnc2c1O
OCCNC(=S)Nc1ccc(cc1)C(F)(F)F
OCCSC(=S)Nc1ccc(Cl)c(Cl)c1
OCCCNC(=O)c1cc(Cl)ccc1O
C[C@@H](COc1ccccc1)N[C@@H](C)[C@@H](O)c1ccc(O)cc1 |r|
Oc1ccc(CCCCCCc2ccc(O)c(C=O)c2)cc1C=O
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
Cc1cc2[nH]c(=S)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2cc1C |r|
CNc1nccc(n1)-c1cccnc1Oc1ccc(NC(=O)c2ccccc2Nc2ccccc2)cc1
CNc1cncc(n1)-c1c[nH]c(=O)c(NC(=O)c2ccc(cc2)N2CCC[C@H]2CN2CCCC2)c1 |r|
Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccnc1 |c:10|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCC1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCCCC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCC1 |r|
CCC1CCN(CC1)c1ccc(O)c(c1)-c1ccnc(N)n1
Nc1nc(NC2CCCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCS(=O)(=O)CC1
Nc1nccc(n1)-c1cc(ccc1O)N1CCOCC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CC1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)C1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCNCC1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
CN(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(=O)CC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCCCC1 |r|
Nc1nccc(n1)-c1cc(ccc1O)N1CCC(O)CC1
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)C1CCCNC1 |r|
CC(C)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(NCCN2CCOCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
CCCCCCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(NC2CCCC2)cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Cc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Nc1nc(cc(n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1)N1CCOCC1 |r|
CCc1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
CN1CCN(CC1)c1cc(nc(N)n1)-c1cc(ccc1O)N1C[C@H](O)[C@@H](O)C1 |r|
Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12|
Nc1nccc(n1)-c1c[nH]c2cccc(O)c12
CCN1CCN(CC1)c2ccc(cc2)Nc3cc(ncn3)N(C)C(=O)Nc4c(c(cc(c4Cl)OC)OC)Cl
C1CCC(CC1)COc2c(c(nc(n2)N)N)N=O
CN1CCC(COc2ccc3c(Nc4ccc(NC(=O)Nc5cccc(F)c5)cc4)ncnc3c2)CC1
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@@H](O)CO |r|
COc1ccc(cc1\C=C\c1ccc(Cl)cc1)C(=O)NC[C@H](O)CO |r|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CN
CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;4.53,2.43,;5.86,3.21,;7.19,2.44,;8.52,3.21,;7.19,.89,;5.86,.12,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(NCCN)nc12
CCn1cnc2c(Nc3ccc(F)cc3)nc(NCCO)nc12
CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@@H]3CCCC[C@@H]3N)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(F)cc3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(F)c3)nc(NCCO)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](O)CC3)nc12 |wU:18.18,21.22,(18.21,-17.29,;16.71,-16.96,;16.22,-15.49,;17.13,-14.26,;16.24,-13.02,;14.77,-13.49,;13.44,-12.72,;13.44,-11.18,;14.78,-10.41,;16.11,-11.18,;17.45,-10.41,;17.45,-8.87,;16.11,-8.1,;16.1,-6.56,;14.78,-8.87,;12.11,-13.49,;12.11,-15.03,;10.78,-15.8,;9.43,-15.03,;9.43,-13.49,;8.12,-12.72,;6.77,-13.49,;5.44,-12.72,;6.77,-15.03,;8.12,-15.8,;13.44,-15.8,;14.77,-15.03,)|
CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4CCCC[C@@H]4N
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CCC[C@@H](N)C3)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:19.19,22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;8.52,3.21,;5.86,3.21,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:21.21,wD:24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:21.21,wD:24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@H]3CC[C@H](O)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:18.18,21.22,(9.76,-3.77,;8.25,-3.46,;7.77,-1.99,;8.68,-.75,;7.79,.49,;6.32,.02,;4.99,.79,;4.99,2.33,;6.32,3.1,;7.65,2.33,;9,3.1,;9,4.65,;7.65,5.42,;7.65,6.98,;6.32,4.65,;3.66,.02,;3.65,-1.52,;2.31,-2.29,;.97,-1.52,;.98,.02,;-.34,.8,;-1.68,.04,;-3.03,.81,;-1.7,-1.5,;-.37,-2.29,;4.99,-2.3,;6.32,-1.5,)|
CCn1cnc2c(Nc3cccc(c3)C#N)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:19.19,22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.86,4.74,;5.86,6.28,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(c3)C#N)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:19.19,wD:22.23,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.74,;4.53,5.52,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(F)cc3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;8.52,3.21,;5.86,3.21,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@@H]3CCCC[C@@H]3N)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCCCC1CO
CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)N1CCC[C@@H]1CO
CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@@H]3CCCC[C@@H]3N)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(OC)c3)nc(NCCO)nc12
CCn1cnc2c(Nc3cccc(c3)C(F)(F)F)nc(N[C@@H]3CC[C@H](N)CC3)nc12 |wU:21.21,24.25,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;4.53,2.43,;5.84,4.74,;5.84,6.15,;7.09,5.76,;4.6,5.76,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-.81,-2.18,;-2.12,-1.41,;-3.47,-2.18,;-4.8,-1.4,;-3.47,-3.72,;-2.14,-4.49,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3ccc(OC)cc3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(F)c3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |wU:18.18,wD:21.22,(7.96,-5.98,;6.45,-5.65,;5.98,-4.18,;6.88,-2.95,;5.98,-1.71,;4.53,-2.18,;3.2,-1.42,;3.2,.12,;4.53,.89,;5.86,.12,;7.19,.89,;7.19,2.44,;5.86,3.21,;5.86,4.75,;4.53,2.43,;1.87,-2.18,;1.85,-3.72,;.52,-4.49,;-.81,-3.72,;-2.14,-4.49,;-3.47,-3.72,;-3.47,-2.18,;-4.8,-1.4,;-2.12,-1.41,;-.81,-2.18,;3.2,-4.5,;4.53,-3.72,)|
CCn1cnc2c(Nc3cccc(F)c3)nc(NCCN)nc12
CCn1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc12
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(n(C(C)C)c2n1)[N+]([O-])=O
CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=O)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2[nH]c(=S)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(N)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(C)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2cccc(O)c2)c2nc(Cl)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Cl)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(NCCCO)n(C(C)C)c2n1
CCCOc1nc2c(NCc3ccccc3)nc(NC(CC)CO)nc2n1C(C)C
CC(C)C(CO)Nc1nc(Nc2cccc(Cl)c2)c2nc(Cl)n(C(C)C)c2n1
CCC(CO)Nc1nc(NCc2ccccc2)c2nc(Br)n(C(C)C)c2n1
CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(1.38,-4.56,;2.41,-3.41,;3.9,-3.73,;1.92,-1.94,;2.85,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-4.88,.09,;-6.2,.86,;-7.55,.09,;-8.88,.86,;-7.55,-1.45,;-6.22,-2.22,;-.88,-2.24,;.45,-1.47,)|
CC(C)n1c(C)nc2c(Nc3cccc(Cl)c3)nc(NC3CCC(N)CC3)nc12 |(3.9,-3.73,;2.41,-3.41,;1.38,-4.56,;1.92,-1.94,;2.85,-.68,;4.39,-.68,;1.92,.56,;.45,.09,;-.88,.86,;-.89,2.4,;.45,3.15,;1.77,2.4,;3.11,3.17,;3.11,4.71,;1.77,5.48,;1.76,7.02,;.43,4.68,;-2.21,.07,;-2.21,-1.47,;-3.56,-2.24,;-4.88,-1.47,;-6.22,-2.22,;-7.55,-1.45,;-7.55,.09,;-8.88,.86,;-6.2,.86,;-4.88,.09,;-.88,-2.24,;.45,-1.47,)|
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCO)nc12
Ic1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1
CC(C)n1cnc2c(Nc3cccc(Br)c3)nc(I)nc12
CC(C)n1cnc2c(nc(NCCO)nc12)N(C)CC=C
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCO
CC(C)[C@H](CO)Nc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc(I)nc12
CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3ccccc3)nc(I)nc12
CCCCNc1nc(nc2n(cnc12)C(C)C)C#CC(C)(O)Cc1ccccc1
CC(C)n1cnc2c(NCc3ccc(Cl)cc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(Nc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCCC3)c2n1 |r|
CC(C)n1cnc2c(NCc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(Nc3ccc(Cl)c(Cl)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CCC(C)(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(nc12)N1CCCC1CO
COc1cc(CNc2nc(I)nc3n(cnc23)C(C)C)cc(OC)c1
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)c(Cl)c2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N(CCO)Cc1ccccc1
COc1ccccc1CNc1nc(nc2n(cnc12)C(C)C)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC(O)C1
CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(nc12)N1CCC[C@H]1CO |r|
CC(C)n1cnc2c(NCc3cc(cc(c3)C(F)(F)F)C(F)(F)F)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccc4OCOc4c3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC(C)(O)c1ccccc1
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(NCC(O)c3ccccc3)nc12
COc1cc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)cc(OC)c1 |r|
CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Ic1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCC1
CC(C)n1cnc2c(NCc3ccccc3)nc(I)nc12
CC(C)n1cnc2c(NCc3cccc(Br)c3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(Nc3ccc(Br)cc3)nc(I)nc12
CCC(C)(O)C#Cc1nc(NCc2ccc3OCOc3c2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
COc1cccc(CNc2nc(nc3n(cnc23)C(C)C)N2CCC[C@@H]2CO)c1 |r|
CC(C)n1cnc2c(NCc3cccc(c3)C(F)(F)F)nc(I)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCO)nc12
COc1ccccc1CNc1nc(I)nc2n(cnc12)C(C)C
COc1ccc(CNc2nc(I)nc3n(cnc23)C(C)C)cc1
CC(C)n1cnc2c(NCc3ccccc3C(F)(F)F)nc(I)nc12
CC(C)n1cnc2c(nc(NCCO)nc12)N1CCC=CC1 |c:21|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CC1(O)CCCCC1
CC(C)n1cnc2c(NCc3ccccc3)nc(CCCCCO)nc12
COc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC2(O)CCCCCC2)cc1
CCC(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(CCC(C)(O)c3ccccc3)nc12
CN(CC=C)c1nc(NCCO)nc2n(C)cnc12
CCC(O)C#Cc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(Cl)nc(I)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(\C=C\CCCO)nc12
CCOc1ccc(CNc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
CCC(C)(O)C#Cc1nc(NCc2ccc(Cl)cc2)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(NCc2ccc(OC)c(OC)c2)c2ncn(C(C)C)c2n1
CCC(C)(O)CCc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCO
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCCCO
CCC(C)(O)C#Cc1nc(NCCc2ccc(OC)cc2)c2ncn(C(C)C)c2n1
Nc1nc(Cl)c2ncn(C3CCCC3)c2n1
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1 |r|
CC(C)n1cnc2c(nc(nc12)N1CCC[C@@H]1CO)N(Cc1ccccc1)Cc1ccccc1 |r|
CC(C)n1cnc2c(NCc3cccc(I)c3)nc(nc12)N1CCC[C@@H]1CO |r|
OC[C@H]1CCCN1c1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)C#CCCO
CCC(C)(O)C#Cc1nc(NCc2ccc(cc2)N(C)C)c2ncn(C(C)C)c2n1
CCC(C)(O)C#Cc1nc(Nc2ccccc2)c2ncn(C(C)C)c2n1
COc1cccc(CNc2nc(I)nc3n(cnc23)C(C)C)c1
CN(CC=C)c1nc(I)nc2n(C)cnc12
CCOc1ccc(Nc2nc(nc3n(cnc23)C(C)C)C#CC(C)(O)CC)cc1
Ic1nc(NCc2ccccc2)c2ncn(Cc3ccccc3)c2n1
CC(C)n1cnc2c(nc(I)nc12)N(C)CC=C
CC(C)n1cnc2c(NCc3ccc(cc3)C(F)(F)F)nc(I)nc12
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)Cc3ccccc3)nc12 |r|
C[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NC(CO)c3ccccc3)nc(nc12)N1CCC[C@@H]1CO |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@@H](CO)c3ccccc3)nc12 |r|
CC(C)n1cnc2c(NC(CO)c3ccccc3)nc(nc12)N1CCC[C@H]1CO |r|
C[C@@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |r|
CC(C)n1cnc2c(NCc3ccccc3)nc(N[C@H](CO)Cc3ccccc3)nc12 |r|
c1ccc(c(c1)C(=O)Nc2cccc(c2)C(F)(F)F)NCc3ccncc3
Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
O=C(Nc1cccc(c1)-c1cncc2ccccc12)c1ccccc1NCc1ccncc1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2ccccc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCn3cc2c2cccnc32)c2ccccc12 |c:5|
O=C1NC(=O)C2=C1c1cn(CCOCCOCCOCCOCCn3cc2c2cccnc32)c2ncccc12 |c:5|
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCC[C@@H]3c12 |r|
Clc1ccc2C[C@@H](Cc2c1)NCc1cc(NC(=O)Nc2cccc3C(=O)N4CCC[C@H]4c23)[nH]n1
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
CC(C)NCc1ccc(Nc2cc(n[nH]2)-c2ccc(cc2)-c2ccc(O)cc2O)cc1
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Cn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
Oc1cc2c(cc1CCCCN1CCCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
Oc1cc2c(cc1CCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl
CN(C)CCCOc1cc2n(CCO)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
OCCn1c2cc(OCCCN3CCCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl
CN(C)CCCCc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
CN(C)CCCOc1cc2n(C)c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1 |w:9.8|
COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cccc(CO)c12 |w:11.12|
CCOC(=O)c1cccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c12 |w:14.13|
NS(=O)(=O)c1ccc(cc1)\N=N\c1c(O)[nH]c2cccc(I)c12
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:10.10|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1Cl |w:9.9|
CN(C)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.10|
Nc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)[N+]([O-])=O)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2|
COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11|
CC(C)Oc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
Cc1cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c(C)c1 |w:5.4|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2cc(CO)ccc12 |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Oc4ccccc4)ccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Cl)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(I)cc23)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccccc12 |w:2.2|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccccc12 |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]cc23)[nH]c1=O |w:11.12|
Cc1cc(Cl)cc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:8.7|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(F)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(O)(=O)=O)cc1 |w:9.8|
CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(Cl)cc12 |w:2.2|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(OCCc4ccncc4)c23)cc1 |w:9.8|
[#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13|
Cc1c2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2ccc1[N+]([O-])=O |w:4.4|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCCn2ccnc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)C(O)=O |w:11.12|
CN(C)C(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:13.13|
CCOc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCCc2cnc[nH]2)cc1 |w:9.8|
NC(=O)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
CC(C)(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:9.9|
Cc1cccc2C(C=Nc3ccc(cc3)S(N)(=O)=O)C(=O)Nc12 |w:7.6|
COc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:10.10|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(N)(=O)=O)cc1 |w:9.8|
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:11.11|
CCc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:11.11|
CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13|
CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(Oc4ccccc4)c23)cc1 |w:9.8|
CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13|
CC(C)(CO)CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:17.17|
CS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(CCc4ccc(O)cc4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(-c4cc[nH]n4)c23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
CC(C)c1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:8.8|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:11.12|
Cc1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:9.9|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(Br)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cc(Br)ccc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(O)cc23)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(c23)[N+]([O-])=O)cc1 |w:9.8|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]nc23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8|
CC(C)COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:15.14|
CCc1ccc2C(=NNc3ccc(cc3)S(N)(=O)=O)C(=O)Nc2c1 |w:7.7|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccncc2)cc1 |w:9.8|
NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3cccc(C=Cc4ccc(O)cc4)c23)cc1 |w:19.18,9.8|
c1ccc2c(c1)c3c4c(c5c6ccccc6n7c5c3n2[C@H]8CC[C@@H]7O8)C(=O)NC4=O
COc1cc(OC)c(\C=C2/C(=O)Nc3ccccc23)c(OC)c1
Oc1[nH]c2ccccc2c1-c1[nH]c2ccccc2c1N=O |(1.71,2.82,;2.18,1.35,;3.65,.86,;3.62,-.68,;4.77,-1.7,;4.44,-3.2,;2.97,-3.66,;1.85,-2.62,;2.18,-1.13,;1.27,.12,;-.27,.12,;-1.18,-1.12,;-2.65,-.64,;-3.96,-1.41,;-5.29,-.64,;-5.29,.9,;-3.96,1.68,;-2.63,.9,;-1.16,1.38,;-.69,2.84,;-1.7,3.98,)|
Oc1[nH]c2ccc(I)cc2c1-c1[nH]c2ccccc2c1N=O |(3.16,-9.8,;3.62,-8.34,;5.09,-7.85,;5.07,-6.31,;6.21,-5.28,;5.89,-3.79,;4.42,-3.31,;4.09,-1.8,;3.27,-4.35,;3.6,-5.84,;2.71,-7.09,;1.17,-7.1,;.26,-8.36,;-1.21,-7.89,;-2.54,-8.66,;-3.87,-7.89,;-3.87,-6.35,;-2.54,-5.58,;-1.21,-6.35,;.26,-5.86,;.73,-4.39,;-.32,-3.25,)|
CC(C)n1cnc2c(NCc3ccccc3O)nc(NCCCO)nc12
O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
OS(=O)(=O)c1ccc2NC(=O)C(c2c1)c1[nH]c2ccccc2c1N=O
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
CN(C)Cc1c(O)cc(O)c2c1oc(-c1ccc(O)c(O)c1)c(O)c2=O
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O2
CN1CCN(Cc2c(O)c(O)c(O)c3c2oc(cc3=O)-c2ccccc2)CC1
Oc1c(O)c(CN2CCSCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
Oc1c(O)c(CN2CCCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
Oc1c(O)c(CN2CCCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
CN(C)Cc1c(O)c(O)c(O)c2c1oc(cc2=O)-c1ccccc1
Oc1ccc(cc1O)-c1oc2c(CN3CCOCC3)c(O)cc(O)c2c(=O)c1O
Oc1ccc(cc1O)-c1oc2c(CN3CCCCC3)c(O)cc(O)c2c(=O)c1O
COc1cc(O)c(cc1CN(C)C)C(=O)\C=C\c1ccccc1
COc1ccc(C(=O)\C=C\c2ccccc2)c(O)c1
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(cc(=O)c3c(O)c2O)-c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O |r|
COc1cc(O)c(cc1CN1CCOCC1)C(=O)\C=C\c1ccccc1
c1ccc(cc1)C2=CC(=O)c3c(cc(c(c3O)O)O)O2
COc1cc(O)c(cc1CN1CCCCC1)C(=O)\C=C\c1ccccc1
COc1cc(O)c(cc1CN1CCCC1)C(=O)\C=C\c1ccccc1
CN1CCN(Cc2c(O)cc(O)c3c2oc(-c2ccc(O)c(O)c2)c(O)c3=O)CC1
COc1cc(O)c(cc1CN1CCN(C)CC1)C(=O)\C=C\c1ccccc1
COc1cc(O)c(cc1CN1CCSCC1)C(=O)\C=C\c1ccccc1
Oc1c(O)c(CN2CCOCC2)c2oc(cc(=O)c2c1O)-c1ccccc1
OCCN(CCO)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CN(CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12)CC(O)CO
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCCC1
OCCOCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
CCN(CC)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
OCC(O)CO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCOCC1
OCCN1CCN(CCON=C2C(Nc3ccccc23)=C2C(=O)Nc3cc(Br)ccc23)CC1
Brc1ccc2\C(C(=O)Nc2c1)=C1\Nc2ccccc2\C\1=N/OCCN1CCNCC1
CN(C)CCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
OCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
BrCCO\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
COCCN1CCN(CCO\N=C2\C(\Nc3ccccc\23)=C2\C(=O)Nc3cc(Br)ccc23)CC1
OC[C@H]1O[C@@](CO)(OC2O[C@H](COC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O |r|
CCN(CC)C(=O)O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CC(C)n1cnc2c(nc(NCCO)nc12)N(C)c1cccc(Cl)c1
NC(=O)c1ccc2C(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)C(=O)Nc2c1 |w:9.9|
COC(=O)c1ccc2C(C(=Nc3ccc(CN(C)C(=O)N(C)C)cc3)c3ccccc3)C(=O)Nc2c1 |w:10.10|
COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
Oc1cccc2c1cc1NC(=O)c3cc4OCOc4c2c13
O=C1NCCc2[nH]c(cc12)-c1ccncc1
CCCCOc1c(cnc2[nH]ncc12)C(=O)c1c(F)cc(F)cc1F
C1(=C(N=C(NC1=O)N)N)N=O
Oc1[nH]c2ccc(cc2c1C1=Nc2ccccc2C1=O)S(O)(=O)=O |t:12|
O=C(Cc1ccc2ccccc2c1)Nc1cc(n[nH]1)C1CC1
COc1ccc2NC(=O)C(=Cc3cnc[nH]3)c2c1 |w:10.10|
CN(C)CCNS(=O)(=O)c1ccc(Nc2cccc(c2)-c2cnc3ccccn23)cc1
C1c2ccccc2-c2[nH]nc(c12)-c1ccncc1
[#6]-[#8]-[#6](=O)[C@@]1([#6]-c2ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2)[#8]-[#6](=O)-[#6](=O)-[#6]1-c1ccc(-[#8])cc1 |r|
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(Oc1ccccc1Cl)cc2=O |r|
CC12CC(C)(C)NC(=S)N1c1ccc(cc1N2)-c1ccc2N3C(=S)NC(C)(C)CC3(C)Nc2c1
Nc1nc2ccc(cc2n1Cc1c(F)cccc1F)C(=O)c1c(F)cccc1Cl
NC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(=O)(=O)NCCOCCO)c2c1 |w:11.11|
Nc1nc(Nc2ccc(cc2)S(N)(=O)=O)nc(OCc2ccccc2)c1N=O
CN(C)CC(O)COc1ccc(Nc2nccc(n2)-c2c(C)nc3ccccn23)cc1
O=C(Nc1cc(c[nH]1)C1CCC1)Nc1cccc2ccncc12
CCNc1cc(N[C@@H]2CC[C@H](O)CC2)nc(Nc2ccc3n(Cc4ccccc4)ccc3c2)n1 |r,wU:10.10,7.6,(34.48,6.65,;34.48,5.11,;33.15,4.34,;33.15,2.8,;34.49,2.03,;34.49,.48,;35.82,-.28,;35.83,-1.82,;34.49,-2.59,;34.49,-4.12,;35.81,-4.9,;35.81,-6.44,;37.15,-4.13,;37.15,-2.59,;33.16,-.28,;31.82,.48,;30.48,-.28,;29.15,.49,;27.83,-.28,;26.49,.48,;26.49,2.03,;25.36,3.06,;23.82,3.07,;23.05,4.4,;23.83,5.74,;23.06,7.07,;21.52,7.07,;20.75,5.74,;21.52,4.41,;25.99,4.47,;27.52,4.3,;27.83,2.79,;29.16,2.03,;31.82,2.03,)|
CC1C\C=C\C(O)C(O)CC\C=C\c2cc(O)cc(O)c2C(=O)O1 |t:3,11|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCOCC1 |r|
COC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
COC[C@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CO |r|
Cn1cc(Nc2ncc3cnn([C@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Cn1cc(Nc2ncc3cnn(C4C5CC6CC(C5)CC4C6)c3n2)cc1C(N)=O |THB:19:17:14:12.21.20,16:17:12:14.15.21,(-6.38,-15.11,;-7.29,-13.87,;-6.81,-12.4,;-8.06,-11.49,;-8.06,-9.95,;-6.73,-9.18,;-6.72,-7.63,;-5.39,-6.86,;-4.06,-7.63,;-2.59,-7.14,;-1.67,-8.38,;-2.58,-9.64,;-2.58,-11.18,;-3.92,-11.94,;-3.92,-13.48,;-2.58,-14.26,;-3.29,-13.44,;-2.59,-12.34,;-3.35,-12.69,;-2.07,-12.75,;-1.24,-11.94,;-1.25,-13.49,;-4.05,-9.17,;-5.39,-9.95,;-9.3,-12.39,;-8.83,-13.87,;-9.88,-15,;-11.39,-14.66,;-9.41,-16.47,)|
Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)CC4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@@H]1CN1CCOCC1 |r|
Cn1cc(Nc2ncc3cnn(C4CCC(C)(C)CC4)c3n2)cc1C(N)=O
Cn1cc(Nc2ncc3cnn([C@@H]4CC[C@H]5CCC[C@@H]45)c3n2)cc1C(N)=O |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(N)=O |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CO |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1C(N)=O |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCC[C@H]1CN1CCCC1 |r|
CNC[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
CN(C)C(=O)[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
Cn1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cc1C(=O)N1CCCC1 |r|
Cn1cc(Nc2ncc3cnn(C4CCC5(CC5)C4)c3n2)cc1C(N)=O
C[C@@H]1CCCN1C(=O)c1cc(Nc2ncc3cnn([C@H]4C[C@@H]5C[C@@H]5C4)c3n2)cn1C |r|
CC(C)n1ncc2cnc(Nc3cc(C(N)=O)n(C)c3)nc12
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CN=O)n(C4CCCC4)c3n2)cn1C
CC(C)CCn1cc(cn1)-c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4C)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(Cc5ccccc5)c4)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4ccnn4C)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnn(C)c4)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cnco4)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C(O)=O)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(CO)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(-c4cncn4C)n(C4CCCC4)c3n2)cn1C
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3cc(C#N)n(C4CCCC4)c3n2)cn1C
CC(O)c1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
CNCc1cc2cnc(Nc3cc(C(=O)N4CCN(C)CC4)n(C)c3)nc2n1C1CCCC1
Cn1cc(cc1C(=O)N2CCN(CC2)C)Nc3ncc4cc(n(c4n3)C5CCCC5)C(=O)N
CN1CCN(CC1)C(=O)c1cc(Nc2ncc3ccn(C4CCCC4)c3n2)cn1C
O[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(29.96,-30.16,;29.85,-28.62,;29.57,-27.1,;27.75,-27.13,;26.77,-26.34,;27.05,-27.87,;28.79,-27.81,;25.98,-25.03,;26.73,-23.68,;28.27,-23.66,;29.01,-22.3,;30.55,-22.27,;28.22,-20.99,;26.69,-21.02,;25.94,-22.36,;25.9,-19.71,;24.37,-19.57,;24.02,-18.07,;25.34,-17.28,;25.64,-15.76,;27.1,-15.27,;28.26,-16.29,;27.96,-17.79,;26.5,-18.29,)|
O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1
Clc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1
CN(C)[C@H]1CC[C@@H](CC1)Nc1nc(Cl)cc(n1)-c1c[nH]c2ncccc12 |r,wU:6.9,wD:3.2,(39.49,-29.31,;40.58,-28.23,;42.07,-28.64,;40.19,-26.75,;39.91,-25.24,;38.09,-25.26,;37.12,-24.48,;37.39,-26,;39.14,-25.95,;36.32,-23.16,;37.07,-21.81,;38.61,-21.79,;39.36,-20.43,;40.9,-20.4,;38.56,-19.12,;37.03,-19.15,;36.28,-20.5,;36.25,-17.83,;34.71,-17.7,;34.37,-16.2,;35.69,-15.41,;35.99,-13.89,;37.45,-13.39,;38.6,-14.42,;38.3,-15.92,;36.85,-16.42,)|
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2C3CCC2COC3)c1
CCN(CC)c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CC3CCC(C2)O3)c1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(N)(=O)=O)n1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCCCC2)c1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2cccc(c2)S(=O)(=O)NC)n1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(NCCCO)c2)c1
NS(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
Clc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
CCN(CC)S(=O)(=O)c1cccc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)c1
Cc1cccc(Nc2nccc(n2)-c2ccnc(c2)N2CCOCC2)c1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)N(C)C)n1
CCN(CC)S(=O)(=O)c1cc(Nc2nccc(n2)-c2ccnc(c2)-c2ccc(NC(=O)NC)cc2)ccc1C
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(C)c(c2)S(=O)(=O)NC)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)N(C)C)n1
CNC(=O)Nc1ccc(cc1)-c1cc(ccn1)-c1ccnc(Nc2ccc(Cl)c(c2)S(=O)(=O)NC)n1
CCN(CC)S(=O)(=O)c1cc(ccc1Cl)Nc2nccc(n2)c3ccnc(c3)c4ccc(cc4)NC(=O)NC
OCCCNc1cc(ccn1)-c1ccnc(Nc2cccc(Cl)c2)n1
Clc1cc(c(Cl)s1)S(=O)(=O)N(C(=O)CBr)c1ccccc1
O=C(Nc1ccccn1)Nc1cccc2C(=O)N3CCCCC3c12
[H][C@]12C[C@@H](C)N(C1)CCn1nc3c(cccc3c1O)-c1nc3c(O2)cccc3nc1O
Brc1cnc(Nc2ccccc2)nc1NCC#N
CC(C)(C)NS(=O)(=O)c1cncc(c1)-c1ccn2nc(N)nc2c1
CC(C)(C#N)Oc1cccc(c1Cl)C(=O)Nc2cc(ccc2F)N(C)c3ccc4c(n3)sc(n4)NC(=O)C5CC5
COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
CN1CCC(C1CO)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
CC(CC\C=C(/C)C[C@H]1OC(=O)C(C)C1=O)\C=C\C=C(/C)CCCc1ccoc1 |r|
NC1CCC(CC1)Nc1nc(NCc2ccccc2N)c2ncn(C3CCCC3)c2n1 |(44.48,-37.69,;42.94,-37.7,;42.18,-39.04,;40.65,-39.05,;39.88,-37.72,;40.62,-36.38,;42.16,-36.37,;38.34,-37.74,;37.55,-36.41,;36.01,-36.42,;35.23,-35.09,;33.69,-35.11,;32.9,-33.78,;31.35,-33.79,;30.57,-32.46,;29.03,-32.49,;28.27,-33.83,;29.06,-35.15,;30.6,-35.13,;31.38,-36.46,;35.98,-33.75,;35.49,-32.29,;36.72,-31.37,;37.98,-32.26,;39.45,-31.76,;40.7,-32.65,;41.94,-31.72,;41.44,-30.26,;39.9,-30.29,;37.52,-33.73,;38.32,-35.06,)|
NC1CCC(CC1)Nc1nc(NCc2cc(Cl)ccc2O)c2ncn(C3CCCC3)c2n1 |(23.71,-19.02,;22.17,-19.03,;21.41,-20.37,;19.88,-20.39,;19.11,-19.06,;19.85,-17.72,;21.39,-17.71,;17.57,-19.08,;16.78,-17.75,;15.24,-17.76,;14.46,-16.43,;12.92,-16.44,;12.13,-15.11,;10.59,-15.13,;9.81,-13.8,;8.26,-13.83,;7.47,-12.51,;7.51,-15.16,;8.29,-16.48,;9.83,-16.47,;10.62,-17.79,;15.21,-15.08,;14.72,-13.62,;15.95,-12.71,;17.21,-13.59,;18.68,-13.1,;19.93,-13.99,;21.17,-13.06,;20.67,-11.6,;19.13,-11.62,;16.75,-15.07,;17.55,-16.4,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(48.72,-25.09,;47.18,-25.1,;46.42,-26.44,;44.89,-26.46,;44.11,-25.13,;44.86,-23.79,;46.4,-23.78,;42.58,-25.15,;41.79,-23.81,;40.24,-23.83,;39.46,-22.5,;37.92,-22.51,;37.13,-21.18,;35.58,-21.2,;34.8,-19.87,;33.25,-19.9,;32.5,-21.23,;33.29,-22.55,;34.83,-22.54,;30.96,-21.25,;30.18,-19.92,;28.64,-19.94,;27.89,-21.28,;28.68,-22.61,;30.22,-22.59,;31.01,-23.91,;40.21,-21.15,;39.72,-19.69,;40.95,-18.77,;42.22,-19.66,;43.68,-19.16,;44.94,-20.06,;46.18,-19.13,;45.68,-17.66,;44.13,-17.69,;41.75,-21.13,;42.55,-22.47,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1 |(24.84,-23.83,;23.3,-23.84,;22.54,-25.18,;21.01,-25.19,;20.24,-23.86,;20.98,-22.52,;22.52,-22.51,;18.7,-23.88,;17.91,-22.55,;16.37,-22.56,;15.59,-21.23,;14.04,-21.24,;13.25,-19.91,;11.71,-19.93,;10.95,-21.27,;9.41,-21.28,;8.62,-19.96,;9.38,-18.63,;10.93,-18.6,;7.09,-19.98,;6.3,-18.66,;4.77,-18.67,;4.01,-20.02,;4.81,-21.34,;6.34,-21.32,;7.13,-22.64,;16.33,-19.88,;15.84,-18.42,;17.08,-17.51,;18.34,-18.39,;19.81,-17.89,;21.06,-18.79,;22.3,-17.86,;21.8,-16.39,;20.26,-16.42,;17.88,-19.86,;18.67,-21.2,)|
CC(C)(O)CNc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1
OC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(25.33,-11.47,;23.8,-11.48,;23.03,-12.82,;21.49,-12.83,;20.72,-11.49,;21.47,-10.15,;23.01,-10.15,;19.18,-11.51,;18.39,-10.18,;16.85,-10.2,;16.08,-8.86,;14.53,-8.88,;13.74,-7.55,;12.2,-7.57,;11.42,-6.24,;9.88,-6.27,;9.13,-7.6,;9.91,-8.92,;11.45,-8.91,;7.59,-7.63,;6.68,-6.4,;5.22,-6.89,;5.24,-8.43,;6.71,-8.88,;16.82,-7.52,;16.33,-6.06,;17.56,-5.15,;18.82,-6.03,;20.28,-5.54,;21.54,-6.43,;22.78,-5.5,;22.28,-4.04,;20.73,-4.07,;18.36,-7.5,;19.15,-8.83,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(53.08,-48.13,;51.54,-48.14,;50.77,-49.48,;49.24,-49.49,;48.47,-48.15,;49.21,-46.81,;50.76,-46.81,;46.92,-48.17,;46.14,-46.84,;44.59,-46.86,;43.82,-45.52,;42.28,-45.54,;41.49,-44.21,;39.94,-44.23,;39.16,-42.9,;37.62,-42.93,;36.87,-44.26,;37.65,-45.58,;39.19,-45.57,;35.33,-44.29,;34.42,-43.06,;32.96,-43.55,;32.98,-45.09,;34.45,-45.54,;44.56,-44.18,;44.07,-42.72,;45.3,-41.81,;46.56,-42.69,;48.03,-42.2,;49.28,-43.09,;50.52,-42.16,;50.02,-40.7,;48.48,-40.73,;46.1,-44.16,;46.9,-45.49,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(27.37,-48.83,;25.84,-48.84,;25.07,-50.18,;23.53,-50.19,;22.76,-48.86,;23.5,-47.52,;25.05,-47.51,;21.22,-48.87,;20.43,-47.54,;18.89,-47.56,;18.11,-46.23,;16.57,-46.24,;15.78,-44.91,;14.24,-44.93,;13.46,-43.6,;11.92,-43.63,;11.16,-44.96,;11.95,-46.28,;13.49,-46.27,;9.63,-44.99,;8.71,-43.76,;7.26,-44.25,;7.28,-45.79,;8.75,-46.24,;18.86,-44.88,;18.37,-43.42,;19.6,-42.51,;20.86,-43.39,;22.32,-42.9,;23.58,-43.79,;24.81,-42.86,;24.32,-41.4,;22.77,-41.43,;20.4,-44.87,;21.19,-46.2,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(47.14,-38.08,;45.61,-38.09,;44.84,-39.43,;43.3,-39.44,;42.53,-38.1,;43.28,-36.76,;44.82,-36.76,;40.99,-38.12,;40.2,-36.79,;38.66,-36.8,;37.89,-35.47,;36.34,-35.49,;35.55,-34.16,;34.01,-34.18,;33.23,-32.85,;31.69,-32.88,;30.94,-34.21,;31.72,-35.53,;33.26,-35.52,;29.4,-34.24,;28.49,-33.01,;27.03,-33.5,;27.05,-35.04,;28.52,-35.49,;38.63,-34.13,;38.14,-32.67,;39.37,-31.76,;40.63,-32.64,;42.09,-32.15,;43.35,-33.04,;44.59,-32.11,;44.09,-30.65,;42.54,-30.68,;40.17,-34.11,;40.96,-35.44,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(24.06,-37.61,;22.53,-37.62,;21.76,-38.97,;20.22,-38.98,;19.45,-37.64,;20.2,-36.3,;21.74,-36.29,;17.91,-37.65,;17.12,-36.33,;15.58,-36.34,;14.8,-35.01,;13.26,-35.03,;12.47,-33.7,;10.93,-33.71,;10.15,-32.39,;8.61,-32.41,;7.85,-33.75,;8.64,-35.06,;10.18,-35.05,;6.32,-33.77,;5.4,-32.54,;3.95,-33.03,;3.97,-34.57,;5.44,-35.02,;15.55,-33.67,;15.06,-32.21,;16.29,-31.29,;17.55,-32.18,;19.01,-31.68,;20.27,-32.58,;21.5,-31.65,;21.01,-30.18,;19.46,-30.21,;17.09,-33.65,;17.88,-34.98,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(50.46,-26.34,;48.93,-26.35,;48.16,-27.69,;46.62,-27.7,;45.85,-26.37,;46.59,-25.03,;48.14,-25.02,;44.31,-26.38,;43.52,-25.05,;41.98,-25.07,;41.2,-23.74,;39.66,-23.75,;38.87,-22.42,;37.33,-22.44,;36.55,-21.11,;35,-21.14,;34.25,-22.47,;35.03,-23.79,;36.57,-23.78,;32.72,-22.49,;31.93,-21.17,;30.4,-21.18,;29.65,-22.53,;30.44,-23.85,;29.69,-25.19,;31.97,-23.83,;41.94,-22.39,;41.46,-20.93,;42.69,-20.02,;43.95,-20.9,;45.41,-20.41,;46.66,-21.3,;47.9,-20.37,;47.4,-18.91,;45.86,-18.94,;43.49,-22.37,;44.28,-23.7,)|
COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cn1 |(6.55,-25.57,;7.3,-24.23,;6.51,-22.91,;4.98,-22.93,;4.18,-21.61,;4.94,-20.27,;6.47,-20.25,;7.25,-21.58,;8.79,-21.56,;9.54,-20.23,;11.08,-20.2,;11.86,-21.52,;13.41,-21.51,;14.2,-22.84,;15.74,-22.82,;16.51,-24.15,;18.06,-24.14,;18.85,-25.47,;20.39,-25.45,;21.16,-26.79,;22.7,-26.78,;23.47,-25.44,;25,-25.43,;22.68,-24.1,;21.13,-24.11,;18.82,-22.79,;18.02,-21.46,;18.49,-19.99,;17.22,-19.1,;15.99,-20.02,;16.48,-21.48,;19.95,-19.49,;21.2,-20.39,;22.44,-19.46,;21.94,-17.99,;20.4,-18.02,;11.11,-22.86,;9.57,-22.88,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(48.32,-13.22,;46.78,-13.23,;46.01,-14.57,;44.48,-14.58,;43.7,-13.24,;44.45,-11.9,;46,-11.89,;42.16,-13.26,;41.37,-11.93,;39.83,-11.94,;39.06,-10.61,;37.51,-10.63,;36.72,-9.3,;35.18,-9.31,;34.4,-7.99,;32.86,-8.02,;32.1,-9.35,;32.89,-10.67,;34.43,-10.65,;30.57,-9.37,;29.79,-8.04,;28.26,-8.06,;27.5,-9.4,;28.29,-10.73,;29.83,-10.7,;30.61,-12.02,;39.8,-9.27,;39.31,-7.81,;40.54,-6.9,;41.8,-7.78,;43.26,-7.28,;44.52,-8.18,;45.76,-7.25,;45.26,-5.79,;43.71,-5.81,;41.34,-9.25,;42.14,-10.58,)|
CC[C@H](CO)Nc1nc(NCc2ccc(cc2)-c2ccccn2)c2ncn(C3CCCC3)c2n1 |r|
N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:1.0,wD:4.7,(-9.23,3.64,;-7.88,2.91,;-6.57,3.72,;-5.21,2.99,;-5.17,1.45,;-6.48,.64,;-7.83,1.37,;-3.83,.68,;-2.5,1.45,;-2.5,2.99,;-1.17,3.76,;-1.17,5.3,;.17,6.07,;.17,7.61,;-1.17,8.38,;-1.17,9.92,;.17,10.69,;1.5,9.92,;1.5,8.38,;.17,2.99,;1.63,3.46,;2.54,2.22,;1.63,.97,;2.11,-.49,;1.2,-1.74,;2.11,-2.99,;3.57,-2.51,;3.57,-.97,;.17,1.45,;-1.17,.68,)|
N[C@H]1CC[C@@H](CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |r,wU:4.7,wD:1.0,(-2.35,-19.99,;-2.35,-18.45,;-1.02,-17.67,;-1.02,-16.13,;-2.36,-15.36,;-3.69,-16.14,;-3.68,-17.67,;-2.36,-13.82,;-1.03,-13.05,;-1.03,-11.51,;.29,-10.74,;.29,-9.2,;-1.05,-8.43,;-2.38,-9.21,;-2.37,-10.76,;-3.71,-11.53,;-5.04,-10.76,;-5.04,-9.22,;-3.71,-8.45,;-6.38,-11.53,;-7.71,-10.76,;-9.04,-11.52,;-9.04,-13.07,;-7.7,-13.84,;-6.37,-13.06,;1.63,-11.49,;3.09,-11.01,;4,-12.24,;3.11,-13.49,;3.9,-14.81,;3.31,-16.22,;4.47,-17.23,;5.79,-16.44,;5.44,-14.94,;1.65,-13.03,;.31,-13.81,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccccc2N)c2ncn(C3CCCC3)c2n1 |(47.04,-25.04,;45.5,-25.04,;44.73,-26.39,;43.2,-26.4,;42.42,-25.06,;43.17,-23.72,;44.72,-23.71,;40.88,-25.08,;40.09,-23.75,;38.55,-23.76,;37.78,-22.43,;36.23,-22.45,;35.44,-21.12,;33.9,-21.13,;33.15,-22.47,;31.61,-22.49,;30.82,-21.17,;31.58,-19.83,;33.12,-19.81,;29.29,-21.18,;28.51,-19.86,;26.98,-19.88,;26.22,-21.22,;27.01,-22.54,;28.55,-22.52,;29.33,-23.84,;38.52,-21.09,;38.03,-19.63,;39.26,-18.71,;40.52,-19.6,;41.99,-19.1,;43.24,-20,;44.48,-19.07,;43.98,-17.6,;42.43,-17.63,;40.06,-21.07,;40.86,-22.4,)|
COc1ccccc1-c1ccc(CNc2nc(NC3CCC(N)CC3)nc3n(cnc23)C2CCCC2)cc1 |(5.27,-37.39,;6.02,-36.05,;5.23,-34.73,;3.7,-34.75,;2.9,-33.43,;3.66,-32.09,;5.19,-32.07,;5.98,-33.4,;7.51,-33.38,;8.29,-34.7,;9.83,-34.68,;10.58,-33.34,;12.13,-33.33,;12.92,-34.66,;14.46,-34.64,;15.24,-35.97,;16.78,-35.96,;17.57,-37.29,;19.11,-37.27,;19.88,-38.61,;21.42,-38.6,;22.19,-37.26,;23.72,-37.25,;21.4,-35.92,;19.85,-35.93,;17.54,-34.61,;16.75,-33.28,;17.21,-31.81,;15.94,-30.92,;14.71,-31.84,;15.2,-33.3,;18.67,-31.31,;19.92,-32.21,;21.16,-31.28,;20.66,-29.81,;19.12,-29.84,;9.81,-32.02,;8.26,-32.04,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccc(F)c2)c2ncn(C3CCCC3)c2n1 |(49.18,-38.16,;47.65,-38.17,;46.88,-39.51,;45.34,-39.52,;44.57,-38.19,;45.31,-36.85,;46.86,-36.84,;43.03,-38.2,;42.24,-36.87,;40.7,-36.89,;39.92,-35.55,;38.38,-35.57,;37.59,-34.24,;36.05,-34.26,;35.3,-35.6,;33.76,-35.61,;32.97,-34.29,;33.72,-32.96,;35.27,-32.93,;31.44,-34.31,;30.65,-32.99,;29.12,-33,;28.37,-34.34,;29.16,-35.67,;28.41,-37.01,;30.69,-35.64,;40.67,-34.21,;40.18,-32.75,;41.41,-31.84,;42.67,-32.72,;44.13,-32.23,;45.39,-33.12,;46.62,-32.19,;46.12,-30.73,;44.58,-30.76,;42.21,-34.19,;43,-35.52,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1 |(22.79,-49.45,;21.26,-49.45,;20.49,-50.8,;18.95,-50.81,;18.18,-49.47,;18.92,-48.13,;20.47,-48.12,;16.63,-49.48,;15.85,-48.16,;14.3,-48.17,;13.53,-46.84,;11.99,-46.86,;11.2,-45.53,;9.65,-45.54,;8.9,-46.88,;7.36,-46.89,;6.58,-45.58,;7.33,-44.24,;8.87,-44.21,;5.04,-45.6,;4.13,-44.37,;2.67,-44.86,;2.69,-46.4,;4.16,-46.85,;14.27,-45.5,;13.78,-44.04,;15.01,-43.12,;16.28,-44,;17.74,-43.51,;18.99,-44.4,;20.23,-43.48,;19.73,-42.01,;18.19,-42.04,;15.81,-45.48,;16.61,-46.81,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccoc2)c2ncn(C3CCCC3)c2n1 |(45.88,-49.91,;44.34,-49.92,;43.57,-51.26,;42.04,-51.27,;41.27,-49.94,;42.01,-48.59,;43.56,-48.59,;39.72,-49.95,;38.93,-48.62,;37.39,-48.64,;36.62,-47.3,;35.07,-47.32,;34.29,-45.99,;32.74,-46.01,;31.99,-47.35,;30.45,-47.36,;29.67,-46.04,;30.42,-44.71,;31.96,-44.68,;28.13,-46.07,;27.21,-44.84,;25.76,-45.33,;25.78,-46.87,;27.25,-47.32,;37.36,-45.96,;36.87,-44.5,;38.1,-43.59,;39.36,-44.47,;40.83,-43.98,;42.08,-44.87,;43.32,-43.94,;42.82,-42.48,;41.28,-42.51,;38.9,-45.94,;39.7,-47.27,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2cccs2)c2ncn(C3CCCC3)c2n1 |(26.1,-60.67,;24.57,-60.68,;23.8,-62.02,;22.26,-62.03,;21.49,-60.69,;22.23,-59.35,;23.78,-59.34,;19.95,-60.71,;19.16,-59.38,;17.62,-59.39,;16.84,-58.06,;15.3,-58.08,;14.51,-56.75,;12.97,-56.76,;12.21,-58.1,;10.67,-58.12,;9.89,-56.8,;10.64,-55.47,;12.19,-55.44,;8.35,-56.83,;7.44,-55.59,;5.98,-56.09,;6,-57.62,;7.47,-58.08,;17.58,-56.72,;17.1,-55.26,;18.33,-54.34,;19.59,-55.23,;21.05,-54.73,;22.3,-55.63,;23.54,-54.7,;23.04,-53.23,;21.5,-53.26,;19.13,-56.7,;19.92,-58.03,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-c2ccsc2)c2ncn(C3CCCC3)c2n1 |(51.81,-59.96,;50.28,-59.97,;49.51,-61.31,;47.97,-61.32,;47.2,-59.99,;47.94,-58.65,;49.49,-58.64,;45.66,-60,;44.87,-58.67,;43.33,-58.69,;42.55,-57.36,;41.01,-57.37,;40.22,-56.04,;38.67,-56.06,;37.92,-57.4,;36.38,-57.41,;35.6,-56.09,;36.35,-54.76,;37.9,-54.73,;34.06,-56.12,;33.15,-54.89,;31.69,-55.38,;31.71,-56.92,;33.18,-57.37,;43.29,-56.01,;42.81,-54.55,;44.04,-53.64,;45.3,-54.52,;46.76,-54.03,;48.01,-54.92,;49.25,-53.99,;48.75,-52.53,;47.21,-52.56,;44.84,-55.99,;45.63,-57.33,)|
NC1CCC(CC1)Nc1nc(NCc2ccc(cc2)-n2cccn2)c2ncn(C3CCCC3)c2n1 |(27.02,-9.73,;25.48,-9.74,;24.71,-11.08,;23.18,-11.09,;22.41,-9.75,;23.15,-8.41,;24.7,-8.4,;20.86,-9.77,;20.07,-8.44,;18.53,-8.45,;17.76,-7.12,;16.22,-7.14,;15.43,-5.81,;13.88,-5.82,;13.13,-7.16,;11.59,-7.18,;10.81,-5.86,;11.56,-4.53,;13.1,-4.5,;9.27,-5.89,;8.36,-4.65,;6.9,-5.15,;6.92,-6.68,;8.39,-7.13,;18.5,-5.78,;18.01,-4.32,;19.24,-3.41,;20.5,-4.29,;21.97,-3.79,;23.22,-4.69,;24.46,-3.76,;23.96,-2.3,;22.42,-2.32,;20.04,-5.76,;20.84,-7.09,)|
CC(C)(O)CNc1nc(NCc2ccc(cc2)-c2ccco2)c2ncn(C3CCCC3)c2n1
NC1CCC(CC1)Nc1nc(NCc2ccc(nc2)-c2ccccc2)c2ncn(C3CCCC3)c2n1 |(24.6,-12.07,;23.07,-12.08,;22.3,-13.42,;20.76,-13.43,;19.99,-12.1,;20.73,-10.75,;22.28,-10.75,;18.45,-12.11,;17.66,-10.78,;16.12,-10.8,;15.34,-9.46,;13.8,-9.48,;13.01,-8.15,;11.47,-8.17,;10.69,-6.84,;9.14,-6.87,;8.39,-8.2,;9.18,-9.52,;10.72,-9.51,;6.86,-8.22,;6.08,-6.9,;4.54,-6.91,;3.79,-8.25,;4.58,-9.58,;6.11,-9.55,;16.09,-8.12,;15.6,-6.66,;16.83,-5.75,;18.09,-6.63,;19.55,-6.14,;20.81,-7.03,;22.04,-6.1,;21.55,-4.64,;20,-4.67,;17.63,-8.1,;18.42,-9.43,)|
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(OC)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(Cl)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
COc1ccc(NC(=S)NC(=O)c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1
CNS(=O)(=O)Nc1cccc(Cc2c(C)c3cc(Cl)c(OC(=O)N(C)C)cc3oc2=O)c1
CC1(C)Oc2cc(O)c3c([nH]c4c(O)cccc4c3=O)c2C=C1 |c:24|
Cn1c2c(O)cccc2c(=O)c2c3occc3c3OC(C)(C)C=Cc3c12 |c:24|
Cn1c2c(O)cccc2c(=O)c2c3OC(C)(C)C(O)=Cc3c3OC(C)(C)C=Cc3c12 |c:19,28|
COc1c(O)ccc2c1[nH]c1c3C=CC(C)(C)Oc3cc(O)c1c2=O |c:13|
O\N=C1\C(\Nc2ccccc\12)=C1\C(=O)Nc2cc(Br)ccc12
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
c1cc(n[nH]1)-c1nc2ccccc2[nH]1
O=C(Nc1c[nH]nc1-c1nc2ccccc2[nH]1)c1ccccc1
Brc1ccc2n(CC(=O)NNC(=S)NC3CCCCC3)c3nc4ccccc4nc3c2c1
COc1cc2c(cc1O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(C)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCCO
COc1cc2c(cc1OCC(=O)O)ncnc2Nc3ccc(cc3)NC(=O)c4ccccc4
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)ncnc2cc1OCC(N)=O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(N)nc2cc1O
COc1cc2c(Nc3ccc(NC(=O)c4ccccc4)cc3)nc(NCCc3ccccn3)nc2cc1O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
c1ccnc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccc(c(c3)[N+](=O)[O-])O
COc1cc(ccc1O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c(N)cc1O
COc1cc(ccc1OCC(O)=O)C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
COc1cc(cc(c1)C(=O)Nc2ccc(cc2)NC(=O)c3ccccn3)C4=CNC(=O)NC4=O
O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(c1)-c1c[nH]c(=O)[nH]c1=O
COc1ccc(cc1-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1
COc1cc(cc(c1)C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1)N1CCC(=O)NC1=O
COc1cc(cc(c1)-c1c[nH]c(=O)[nH]c1=O)C(=O)Nc1ccc(NC(=O)C2CCCCN2)cc1
CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(c2)-c2c[nH]c(=O)[nH]c2=O)cc1
CC(O)CNc1nc(NCc2ccc(cc2)-c2ccccn2)c2[nH]nc(C(C)C)c2n1
CC(=O)N1CCC(CC1)n1cc(Nc2ncc(Cl)c(n2)-c2cnc3ccccn23)cn1
C[C@@H](O)C(=O)N1CCC(CC1)n1nc(C)c(Nc2ncc(Cl)c(n2)-c2cnn3ccccc23)c1C |r|
COc1ccccc1-c1cc(Nc2ccc(F)c(NS(C)(=O)=O)c2)ncn1
COc1cc2ncccc2cc1NC(=O)c1csc2cncnc12