630 SMILES Strings for Serine/threonine-protein kinase Chk2

Compound Name
SMILES String
CCOC(=O)c1cnc2[nH]ncc2c1N1CCOC(CN)C1
NCC1CN(CCO1)c1c(Br)cnc2[nH]ncc12
NCC1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccsc1
NC[C@@H]1CN(CCO1)c1c(cnc2[nH]ncc12)-c1ccccc1 |r|
Nc1nc2cnc(cn2n1)-c1ccccc1
Nc1nc2cc(ccc2o1)-c1nn(CC2SSCC2OC(=O)c2ccccc2)c2ncnc(N)c12
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3cccc(NC(=O)c4ccc(NC(=O)C=C)cc4)c3)n[nH]c2C1(C)C)c1ccccc1 |r|
COc1nc(C)ccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3c(F)cn(C4CCNCC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3ccn(CC4CCNCC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3ccn(CC4CNC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3ccn(C[C@H]4CCNC4)c3n2)n[nH]1 |r|
COc1cccc(F)c1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1ccc(F)cc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1nc(ccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1)C(F)(F)F
COc1ccccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
Fc1cccc(OC(F)(F)F)c1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1cc(F)ccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1cc(C)ccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1cc(Cl)ccc1-c1cc(Nc2cnc3ccn(C4CCNCC4)c3n2)n[nH]1
COc1cccc(F)c1-c1[nH]nc(Nc2cnc3ccn(C4CCNCC4)c3n2)c1F |(-7.05,-30.43,;-6.4,-28.98,;-7.31,-27.73,;-8.84,-27.89,;-9.75,-26.64,;-9.12,-25.24,;-7.59,-25.08,;-6.94,-23.62,;-6.68,-26.32,;-5.15,-26.16,;-4.38,-24.83,;-2.88,-25.15,;-2.71,-26.68,;-1.38,-27.45,;-.05,-26.68,;-.05,-25.14,;1.29,-24.37,;2.62,-25.14,;4.09,-24.66,;4.99,-25.91,;4.09,-27.16,;4.56,-28.62,;3.53,-29.76,;3.96,-31.27,;5.54,-31.61,;6.61,-30.4,;6.07,-28.94,;2.62,-26.68,;1.29,-27.45,;-4.12,-27.31,;-4.45,-28.86,)|
COc1cccc(F)c1-c1cc(Nc2cnc3c(F)cn(C4CCNCC4)c3n2)n[nH]1
COc1cccc(F)c1-c1cc(Nc2cnc3cc(C)n(C4CCNCC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3ccn(C4CCN(C)CC4)c3n2)n[nH]1
COc1nc(C)ccc1-c1cc(Nc2cnc3c(F)cn(C4CCN(C)CC4)c3n2)n[nH]1
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ncc2F)nc3C(=O)NC4CCCNC4
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ncc2F)nc3C(=O)NC4CNC[C@@H](F)C4
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ncc2F)nc3C(=O)NC4CNCC[C@H]4O
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ncc2F)nc3C(=O)NC4CNCC(F)(F)C4
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CCCNC4)n3)ccn2)cn1
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)ccn2)cn1
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CCC5(CC5)NC4)n3)ccn2)cn1
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2F)nc3C(=O)NC5CCC4(CC4)NC5
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2F)nc3C(=O)NC4CNC[C@@H](F)C4
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2F)nc3C(=O)NC4CNCC[C@H]4O
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2F)nc3C(=O)NC4CNC[C@H]4O
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2F)nc3C(=O)NC4CNCC(F)(F)C4
Nc3ncc(c2ccnc(c1cnn(CC(F)(F)F)c1)c2)nc3C(=O)NC4CNCC(F)(F)C4
Nc3ncc(c2ccnc(c1cnn(CC(F)(F)F)c1)c2)nc3C(=O)NC4CNCC[C@H]4O
Nc3ncc(c2ccnc(c1cnn(CC(F)(F)F)c1)c2)nc3C(=O)N[C@@H]4CNC[C@@H](F)C4
Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC4CCCNC4)n3)c2)cn1
Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)c2)cn1
Cn1cc(-c2ccc(F)c(-c3cnc(N)c(C(=O)NC4CCCNC4)n3)c2)cn1
Cn1cc(-c2ccc(F)c(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)c2)cn1
Nc1ncc(-c2ccnc(-c3cnn(C4CC4)c3)c2)nc1C(=O)NC1CCCNC1
Nc3ncc(c2ccnc(c1cnn(CC(F)(F)F)c1)c2)nc3C(=O)N[C@H]4CCCNC4
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)c(F)cn2)cn1
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2O)nc3C(=O)N[C@@H]4CNC[C@@H](F)C4
Nc3ncc(c2cc(c1cnn(CC(F)(F)F)c1)ccc2O)nc3C(=O)N[C@H]4CCCNC4
N#CCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@@H]4CNCC[C@H]4O)n3)c2)cn1
N#CCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@@H]4CNC[C@@H](F)C4)n3)c2)cn1
N#CCn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cn1
CC(C)(O)Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@@H]4CNCC[C@H]4O)n3)c2)cn1
CC(C)(O)Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@@H]4CNC[C@@H](F)C4)n3)c2)cn1
CC(C)(O)Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)N[C@H]4CCCNC4)n3)c2)cn1
Nc1ncc(-c2cc(-c3cnn(C4CC4)c3)ccc2F)nc1C(=O)N[C@H]1CCCNC1
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CNCC(F)(F)C4)n3)c(F)cn2)cn1
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CNCC(F)(F)C4)n3)ccn2)cn1
CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)ccn2)cn1
CC(C)(O)Cn1cc(-c2ccc(F)c(-c3cnc(N)c(C(=O)NC4CNC[C@@H](F)C4)n3)c2)cn1
CC(C)(O)Cn1cc(-c2ccc(F)c(-c3cnc(N)c(C(=O)NC4CNCC(F)(F)C4)n3)c2)cn1
Cc1ccc(-c2cnn(CC(C)(C)O)c2)cc1-c1cnc(N)c(C(=O)NC2CNC[C@@H](F)C2)n1
Cc1ccc(-c2cnn(CC(C)(C)O)c2)cc1-c1cnc(N)c(C(=O)NC2CNCC(F)(F)C2)n1
Nc3ncc(c2nccc(c1cnn(CC(F)(F)F)c1)n2)nc3C(=O)N[C@H]4CCCNC4
Cn1cc(-c2ccc(F)c(-c3cnc(N)c(C(=O)NC4CCC5(CC5)NC4)n3)c2)cn1
Cn1cc(-c2cccc(-c3cnc(N)c(C(=O)NC4CCC5(CC5)NC4)n3)c2)cn1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@H]5CCCNC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)N[C@H]5CCCNC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@@H](F)C5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@@H](F)C5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)N[C@@H]5CNCC[C@H]5O)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@@H](F)C5)n4)ccn3)cnn2C1
CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)N[C@H]5CCCNC5)n4)ccn3)cnn2C1
CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)ccn3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)NC5CNCC[C@H]5O)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)N[C@@H]5CNCC[C@H]5O)n4)ccn3)cnn2C1
CC1(C)Cc2c(-c3cc(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@H]5O)n4)ccn3)cnn2C1
CC1(C)Cc2c(-c3ccc(O)c(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@@H](F)C5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(O)c(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(O)c(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@H]5O)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@@H]5CNCCC5(F)F)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@@H]5CNCC(F)(F)C5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@@H]5CNC[C@H]5O)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@@H]5CNCCOC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@H]5CNC[C@@H]5F)n4)c3)cnn2C1
CC1(C)Cc2c(-c3nccc(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)n3)cnn2C1
CC1(C)Cc2c(-c3nccc(-c4cnc(N)c(C(=O)NC5CNC[C@@H](F)C5)n4)n3)cnn2C1
CC1(C)Cc2c(-c3cccc(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)c3)cnn2C1
CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)N[C@H]5CCC6(CC6)NC5)n4)c3)cnn2C1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1[N+]([O-])=O)-c1ccccc1
CNC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2c(c(C)nn2-c2ccccc2)[N+]([O-])=O)cc1
CC(C)NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2c(c(C)nn2-c2ccccc2)[N+]([O-])=O)cc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NCc2ccccc2)c1[N+]([O-])=O)-c1ccccc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(O)cc2)cc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1[N+]([O-])=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1[N+]([O-])=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1[N+]([O-])=O)-c1ccc(cc1)C#N
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(=O)NC2CCCCC2)c1[N+]([O-])=O)-c1ccccc1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=S)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)-c2ccccc2)cc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=O)-c1ccccc1
CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(N)=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=S)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\NC(N)=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)-c2ccccc2)cc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=O)-c1ccccc1
CC(=O)N\N=C\c1c(C)nn(c1Oc1ccc(cc1)-c1nc2cc(ccc2[nH]1)C(O)=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=S)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\NC(N)=O)-c1ccccc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccc(cc1)[N+]([O-])=O)-c1ccccc1
COc1ccc(N\N=C\c2c(C)nn(c2Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)-c2ccccc2)cc1
Cc1nn(c(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1\C=N\Nc1ccccc1)-c1ccccc1
Cc1nn(c(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)[N+]([O-])=O)c1\C=N\NC(N)=O)-c1ccccc1
OC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2nc(S)nc(-c3ccccc3)c2C#N)cc1
CCOC(=O)CSc1nc(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c(C#N)c(n1)-c1ccc(F)cc1
OC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2nc(S)nc(-c3ccc(Cl)cc3)c2C#N)cc1
NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2nc(S)nc(-c3ccccc3)c2C#N)cc1
CCOC(=O)CSc1nc(Oc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c(C#N)c(n1)-c1ccc(F)cc1
NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Oc2nc(S)nc(-c3ccc(Cl)cc3)c2C#N)cc1
OC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Nc2nc(=S)[nH]c(-c3ccc(cc3)[N+]([O-])=O)c2C#N)cc1
COc1ccc(cc1)-c1[nH]c(=S)nc(Nc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(O)=O)c1C#N
COc1ccc(cc1)-c1nc(S)nc(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1C#N
Cc1ccc(cc1)-c1nc(S)nc(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c1C#N
NC(=O)c1ccc2[nH]c(nc2c1)-c1ccc(Sc2nc(S)nc(-c3ccc(Cl)cc3)c2C#N)cc1
CCOC(=O)CSc1nc(Sc2ccc(cc2)-c2nc3cc(ccc3[nH]2)C(N)=O)c(C#N)c(n1)-c1ccc(Cl)cc1
O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
CS(=O)(=O)Nc1cccc(CC(=O)Nc2nc(cs2)-c2c[nH]c3ncccc23)c1
O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1c[nH]c2ncccc12
CC(C)n1c(C)nc2c(F)cc(cc12)-c1nc(Nc2ccc3CN(CCN(C)C)CCc3n2)ncc1F
OC(=O)C1CN(Cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1
[H][C@]12C[C@@H](NCCOCCOCCOCCNC(=O)CCC3=[N+]4C(C=C3)=Cc3c(C)cc(C)n3[B-]4(F)F)[C@@H](OC)[C@](C)(O1)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r,c:24,26,t:21|
CN(CCc1ccc(cc1)-c1ccccc1)Cc1cn(C)c2ccc(cc12)C(=O)Nc1ccc(F)cc1
CCCCNc1ncnc2c3cc4ccccc4nc3sc12
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CC(C)c1n[nH]c2c(NCc3ccc(cc3)-c3ccccn3)nc(SCCN)nc12
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
FC(F)(F)CNC(=O)c1cc(cs1)-c1cnn2cc(cnc12)-c1ccc(OCCN2CCCCC2)cc1
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)NCC(F)(F)F
Cn1cc(cn1)-c1cnc2c(cnn2c1)-c1csc(c1)C(=O)N[C@@H]1CCCC[C@@H]1N |r|
Cc1sc(cc1-c1cnn2cc(Cl)cnc12)C(=O)N[C@@H]1[C@H](N)CCCC1(F)F |r|
C[C@@H]1C[C@H]1C(=O)N1CCN(C[C@H]1C)c1cnc(C#N)c(n1)-c1cnn(C)c1 |r|
C#Cc1nc(Nc2ccccc2)nc2[nH]cnc12
NS(=O)(=O)c1ccc(Nc2nc(C#C)c3nc[nH]c3n2)cc1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCCC1CCNCC1
COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1
[H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2 |r|
[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
CCc1cc(Nc2nc(NCc3ccc(Cl)cc3OC)nc3cccc(OC)c23)n[nH]1
CC(C)OCc1ccc2n(CCCO)c3c4Cc5ccccc5-c4c4C(=O)NCc4c3c2c1
Cc1n[nH]c2ccc(cc12)-c1cc(N[C@@H](CO)c2ccccc2)cnc1Cl |r|
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
Nc1nc(O)c([nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.18,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1|
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccc(Cl)c(Cl)c2)c1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c(Cl)c1
Nc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1OC
Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1C
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccccc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(c2)C(F)(F)F)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Sc2ccc(Cl)cc2)cc1
CNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1Cl
NC(=O)c1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
COc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
CCN(CC)C(=O)c1cccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)c1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1
CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)c1ccc(Cl)cc1
N#Cc1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
Cc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc2oc3ccccc3c2c1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc2ccccc2c1
CN(C)C(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cc(ccc2F)C(F)(F)F)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)c1ccc(Cl)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(c2)C(O)=O)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(Cl)c2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc3ccccc3c2)cc1
Cc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
NS(=O)(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)S(=O)(=O)Nc1ccccc1
[O-][N+](=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)c(O)c2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccccc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccc(Cl)c(Cl)c1
CS(=O)(=O)Nc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
NC(=O)c1cccc2[nH]c(nc12)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2cccc(O)c2)cc1
OC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)-c1ccc(Cl)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1cccc(Oc2ccccc2)c1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(cc1)C(=O)Nc1ccccc1
COc1cc2Nc3[nH]nc(C)c3N=C(c3ccccc3Cl)c2cc1F |t:13|
COc1cc2ncc(-c3cccc(NC4CCNC4)n3)n2cc1-c1cnn(C)c1
Cn1c(nc2ccc(cc12)C(N)=O)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2nc(oc2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1cnc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
OC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
NC(=O)c1cnc2cc(nn2c1)-c1ccc(Oc2ccccc2)cc1
NC(=O)c1ccc2oc(nc2c1)-c1ccc(Oc2ccccc2)cc1
OC(=O)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(Cl)cc2)cc1
NC(=O)c1ccc2[nH]c(nc2n1)-c1ccc(Oc2ccc(Cl)cc2)cc1
Cn1c(nc2cc(ccc12)C(N)=O)-c1ccc(Oc2ccccc2)cc1
NC1=NC(=O)\C(N1)=C1/CCNC(=O)c2[nH]c(Br)cc12 |t:1|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1|
NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c3ccccc3c12 |w:3.2,t:1|
NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:7.8,t:1|
COc1ccc(cc1OC)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:20.21,c:27|
CNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:8.19,t:2|
CCCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:10.21,t:4|
O=C1N=C(NCc2ccccc2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.16,t:2|
CC(CO)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:4.3|
CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:4.3|
NC(=NCCO)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O |w:3.2|
CC(CO)N=C(N)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:4.3|
NC(=NCC1CCCCC1)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:2.2|
NC(=NCCO)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:2.2|
NC(=NCCCCO)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:3.2|
NC(=NCC1CCCCC1)c1c(Nc2ccc(cc2)-n2cccn2)s[nH]c1=O |w:2.2|
CC(CO)N=C(N)c1c(Nc2ccc(cc2)-n2cccn2)s[nH]c1=O |w:4.3|
NC(=NCC(O)CO)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:2.2|
NC(=NCC1CCCCC1)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(cc2)S(=O)(=O)c2ccccc2)s[nH]c1=O |w:3.2|
NC(=NCC(O)CO)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(cc2)N=Nc2ccccc2)s[nH]c1=O |w:3.2,15.15|
NC(=NCC1CCCCC1)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:2.2|
CCC[C@H]1CC[C@@H](CC1)c1ccc(Nc2s[nH]c(=O)c2C(N)=NCC(O)CO)cc1 |w:22.24,wU:6.9,wD:3.2,(5.03,-7.46,;6.29,-6.57,;7.69,-7.21,;8.94,-6.31,;10.35,-6.95,;11.61,-6.05,;11.44,-4.52,;10.04,-3.88,;8.8,-4.78,;12.69,-3.62,;12.54,-2.09,;13.79,-1.19,;15.19,-1.83,;16.44,-.93,;17.84,-1.57,;18.15,-3.08,;19.68,-3.25,;20.32,-1.84,;21.83,-1.53,;19.18,-.81,;19.35,.73,;18.11,1.64,;20.76,1.34,;20.93,2.87,;19.69,3.79,;19.86,5.32,;18.28,3.17,;17.04,4.08,;15.35,-3.36,;14.1,-4.26,)|
NC(=NCCCCO)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:2.2|
NC(=NCC1CCCCC1)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(Oc3ccccc3)cc2)s[nH]c1=O |w:3.2|
NC(=NCC1CCCCC1)c1c(Nc2ccc(cc2)N=Nc2ccccc2)s[nH]c1=O |w:2.2,19.20|
CC(C)N=C(N)c1c(Nc2ccc(cc2)C2CCCCC2)s[nH]c1=O |w:3.2|
NC(=NCC1CCCCC1)c1c(Nc2ccc(cc2)C(=O)c2ccccc2)s[nH]c1=O |w:2.2|
CC(C)N=C(N)c1c(Nc2ccc(Nc3ccccc3)cc2)s[nH]c1=O |w:3.2|
NC(=NCc1cccc2ccccc12)c1c(Nc2ccc(Nc3ccc(Br)cc3)cc2)s[nH]c1=O |w:2.2|
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
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(CC(=O)Nc4ccc(cc4)N4CCOCC4)cc3NC2=O)c1
COc1cc(ccc1N)-c1ccc2c(Nc3ccc(cc3NC2=O)C(C)(C)C(=O)Nc2ccc(cc2)N2CCOCC2)c1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCCNC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCCO)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCNC2)cc1
CC(=O)N1CCCCC1CCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccccc3)CC2)cc1
Cc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(CC2)C(=O)c2ccccc2)cc1
CC(=O)N1CCC(COc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)CC1
CC(=O)N1CCCC(C1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCC(O)CC2)cc1 |(11.67,-7.06,;13.01,-6.28,;13.01,-4.74,;14.34,-7.05,;14.34,-8.6,;15.67,-9.37,;17.01,-8.59,;18.48,-9.06,;19.38,-7.81,;18.47,-6.56,;17,-7.05,;15.67,-6.28,;20.92,-7.8,;21.7,-9.13,;23.23,-9.12,;24,-7.78,;25.54,-7.77,;26.3,-6.43,;27.83,-6.42,;28.59,-5.09,;27.82,-3.76,;28.59,-2.42,;26.28,-3.77,;25.51,-5.11,;23.21,-6.45,;21.68,-6.46,)|
COc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccc(Cl)cc3)CC2)cc1
CC(=O)N1CCC(CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)CC1
Cc1ccc(CN2CCC(CCOc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccc(Cl)cc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
Cc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCN(Cc3ccccc3)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCN2CCCCC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2C(=O)c2ccccc2)cc1
COc1ccc(CN2CCCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(O[C@@H]2CC[C@H](CO)CC2)cc1 |wU:17.18,20.22,(-8.66,-18.67,;-7.34,-17.9,;-7.34,-16.37,;-5.99,-18.68,;-5.99,-20.21,;-4.65,-20.98,;-3.33,-20.21,;-1.87,-20.69,;-.97,-19.45,;-1.87,-18.2,;-3.33,-18.67,;-4.65,-17.91,;.57,-19.53,;1.3,-20.9,;2.84,-20.96,;3.67,-19.64,;5.2,-19.69,;6,-18.37,;7.55,-18.41,;8.33,-17.09,;7.61,-15.73,;8.42,-14.42,;9.95,-14.47,;6.06,-15.69,;5.26,-17.01,;2.95,-18.3,;1.4,-18.24,)|
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCNCC2)cc1
CN1CCC(CC1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCCN2CCCCC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OC2CCNCC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccccc3)C2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCN(CC2)C(=O)c2ccccc2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(O[C@H]2CC[C@H](CO)CC2)cc1 |wU:17.18,wD:20.22,(15.13,-18.17,;16.45,-17.4,;16.45,-15.86,;17.8,-18.18,;17.8,-19.71,;19.14,-20.48,;20.46,-19.71,;21.92,-20.19,;22.82,-18.95,;21.92,-17.7,;20.46,-18.17,;19.14,-17.41,;24.37,-19.03,;25.09,-20.39,;26.63,-20.46,;27.46,-19.14,;29,-19.18,;29.79,-17.87,;29.06,-16.51,;29.85,-15.19,;31.4,-15.23,;32.21,-13.92,;33.74,-13.96,;32.13,-16.58,;31.34,-17.9,;26.74,-17.79,;25.19,-17.73,)|
Cc1ccc(CN2CCCCC2CCOc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)cc1
COc1ccc(CN2CCC(CCOc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCCN(Cc3ccc(Cl)cc3)C2)cc1
CC(=O)N1CCCC(COc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C(N)=O)C1
COc1ccc(CN2CCC(COc3ccc(cc3)-c3nc4ccc(cc4[nH]3)C(N)=O)CC2)cc1
CN1CCC(C1)Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCO)cc1
CN(C)CCCOc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(N)=O
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCCC2CCCCN2Cc2ccc(Cl)c(Cl)c2)cc1
NC(=O)c1ccc2nc([nH]c2c1)-c1ccc(OCC2CCN(Cc3ccccc3)CC2)cc1
FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r|
CCOc1cc(ccc1Nc2ncc3c(n2)N(c4ccccc4C(=O)N3C)C)N5CCC(CC5)O
Cc1cn(CCN2CCN(CC2)c2ccccc2-c2cc(cc(c2)C(=O)NCCCN2CCCC2)C#N)c2ccccc12
Cc1nc2ccsc2c(n1)Nc3c4c([nH]n3)C(N(C4)C(=O)N[C@H](CN(C)C)c5ccccc5)(C)C
c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)C(=O)N3CC(C3)([C@@H]4CCCCN4)O
CN1CCN(CC1)C2CCN(CC2)c3ccc(c(c3)OC)Nc4ncc(c(n4)Nc5ccccc5P(=O)(C)C)Cl
Cn1cc(cn1)-c1[nH]c2cc(NC(=O)[C@H](N)C3CCCCC3)cc3c2c1cn[nH]c3=O |r|
O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)NC)OC
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCN1
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNCC1
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCNC1
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)N[C@@H]1CCNC1 |r|
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NC1CCNCC1
Nc1ncc(nc1Oc1ccc2cc[nH]c2c1)-c1ccc(cc1)C(=O)NCC1CCCNC1
CC(Oc1nc(cnc1N)-c1ccc(cc1)C(=O)NCC1CCCNC1)c1c(Cl)cccc1Cl
NCCn1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c2nc(N)ncc12
O=C(Cc1ccccc1)Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2cccc(c2)N2CCOCC2)n1
CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r|
C[C@@]12[C@@H]([C@@H](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)N(C)C(=O)c9ccccc9)OC
C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(CO)O
CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1
CO[C@@H]1[C@@H](C[C@H]2O[C@]1(C)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13)N(C)C(=O)c1ccccc1 |r|
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1ccccc1O |r|
CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1cccc(F)c1O |r|
CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1ccc(F)cc1O |r|
CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
CN(C)[C@@H]1CCN(C1)c1nc(nc2ccccc12)-c1c(O)cccc1F |r|
Oc1ccccc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r|
Oc1ccccc1-c1nc(N[C@@H]2CCNC2)c2ccccc2n1 |r|
Oc1ccccc1-c1nc(N[C@H]2CCCNC2)c2ccccc2n1 |r|
Oc1ccccc1-c1nc(N[C@@H]2CCCNC2)c2ccccc2n1 |r|
CN1CC[C@@H](C1)Nc1nc(nc2ccccc12)-c1ccccc1O |r|
CN([C@H]1CCNC1)c1nc(nc2ccccc12)-c1ccccc1O |r|
Oc1ccccc1-c1nc(NC2CCCCNC2)c2ccccc2n1
Oc1ccccc1-c1nc(NC2CCCNCC2)c2ccccc2n1
Oc1ccc(F)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r|
Oc1ccc(Cl)cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r|
Cc1ccc(O)c(c1)-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r|
CC(C)c1ccc(O)c(c1)-c1nc(N[C@H]2CCNC2)c2ccccc2n1 |r|
Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)C(F)(F)F |r|
Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cn[nH]c1 |r|
Oc1ccc(cc1-c1nc(N[C@H]2CCNC2)c2ccccc2n1)-c1cc[nH]n1 |r|
COC(=O)[C@@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1O |r|
COC(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1C |r|
CN(C)C(=O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1ccccc1O |r|
CC(C)(O)[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
OC[C@H]1C[C@@H](CN1)Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
CCOC(=O)[C@H]1CNC[C@@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
CCOC(=O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
OC[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(F)ccc1O |r|
COc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r|
COc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O |r|
COCCOc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r|
COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O |r|
OCCCc1ccc2nc(nc(N[C@H]3CCNC3)c2c1)-c1ccccc1O |r|
OCCCc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1ccccc1O |r|
COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O |r|
COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1ccccc1O |r|
COc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O |r|
COCCOc1ccc2c(N[C@H]3CCNC3)nc(nc2c1)-c1cc(F)ccc1O |r|
COCCOc1cc2nc(nc(N[C@H]3CCNC3)c2cc1OC)-c1cc(F)ccc1O |r|
COCCOc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O |r|
COc1cc2nc(nc(N[C@@H]3CNC[C@H]3C(C)(C)O)c2cc1OC)-c1cc(F)ccc1O |r|
COc1cc2nc(nc(N[C@@H]3CNC[C@H]3CO)c2cc1OC)-c1cc(F)ccc1O |r|
CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cn[nH]c1 |r|
CC(C)(O)[C@@H]1CNC[C@H]1Nc1nc(nc2ccccc12)-c1cc(ccc1O)-c1cc[nH]n1 |r|
Oc1ccccc1C1CC(=NN1C(=O)c1ccco1)c1cccnc1 |c:10|
Cc1ccc(cc1N2C=NC(=C(C2=O)Cl)OCc3ccc(cc3F)F)C(=O)NCCO
CN1CCN(CC1)c1ccc(cc1)-c1cc2n(C)nc(N)c2c(=O)[nH]1
CN1CCN(CC1)CC(=O)N(C)c2ccc(cc2)N/C(=C\3/c4ccc(cc4NC3=O)C(=O)OC)/c5ccccc5
Cc1cnc2c(NCCN)nc3ccc(C)cc3n12
CC(C)S(=O)(=O)c1ccccc1Nc2c(cnc(n2)Nc3ccc(cc3OC)N4CCC(CC4)N5CCN(CC5)C)Cl
CN1CCN(CC1)CCCOc2cc3c(cc2OC)c(c(cn3)C#N)Nc4cc(c(cc4Cl)Cl)OC
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c1nccs1
COc1ccc(cc1)COc2ccc(cc2OC)Cc3cnc(nc3N)N
CN1CCN(CC1)c1cc(Nc2cc(C)n[nH]2)nc(Sc2ccc(NC(=O)C3CC3)cc2)n1
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Clc1cccc(Cl)c1C(=O)Nc1cn[nH]c1C(=O)NC1CCNCC1
Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1
Cn1cnc2c1cc(c(c2F)Nc3ccc(cc3Cl)Br)C(=O)NOCCO
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O
CN(C)C/C=C/C(=O)Nc1cc2c(cc1O[C@H]3CCOC3)ncnc2Nc4ccc(c(c4)Cl)F
C=CC(=O)Nc1cc2c(cc1OCCCN3CCOCC3)ncnc2Nc4ccc(c(c4)Cl)F
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O
Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc2cc(Oc3ccnc(c3)-c3ncc([nH]3)C(F)(F)F)ccc12
c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](CC#N)C4CCCC4
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)S(=O)(=O)Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N1CCC[C@@H]1CN1CCCC1 |r|
COc1c(Cl)cc2c3ccncc3[nH]c2c1NC(=O)c1cccnc1C
Cn1cc(C2=C(C(=O)NC2=O)c2cn(C3CCN(Cc4ccccn4)CC3)c3ccccc23)c2ccccc12 |t:4|
CN(C)C[C@@H]1CCn2cc(C3=C(C(=O)NC3=O)c3cn(CCO1)c1ccccc31)c1ccccc21 |r,t:10|
C[C@@H](Oc1cc(sc1C(N)=O)-n1cnc2ccc(CN3CCN(C)CC3)cc12)c1ccccc1C(F)(F)F |r|
CC1(CNc2c1ccc(c2)NC(=O)c3cccnc3NCc4ccncc4)C
CC(C)n1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc12
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C
CN1c2c(cnc(n2)Nc3cccc(c3)SC)C=C(C1=O)c4c(cccc4Cl)Cl
Cc1cccc(c1NC(=O)c2cnc(s2)Nc3cc(nc(n3)C)N4CCN(CC4)CCO)Cl
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
COCCOc1cc2c(cc1OCCOC)ncnc2Nc3cccc(c3)C#C
Cc1cnc(nc1Nc2cccc(c2)S(=O)(=O)NC(C)(C)C)Nc3ccc(cc3)OCCN4CCCC4
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31|
COc1ccc(c(c1C(=O)c2cnc(nc2N)NC3CCN(CC3)S(=O)(=O)C)F)F
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1
CCn1c(nc2c(ncc(OC[C@H]3CCCNC3)c12)C#CC(C)(C)O)-c1nonc1N |r|
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 |c:13|
c1cc(c(c(c1)Cl)C2=C3C=CC(=NN3C=NC2=O)Sc4ccc(cc4F)F)Cl
CC1(C(=O)Nc2c(ccc(n2)Nc3c(cnc(n3)Nc4cc(c(c(c4)OC)OC)OC)F)O1)C
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12
CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)Nc4ccc(cc4F)Br
C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1
CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl |r|
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)NC4=CCC(F)C=C4)cc3F)ccnc2cc1OCCCN1CCOCC1 |c:26,t:21|
CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2N(C)C1=O |r|
Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1
CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
CNC(=O)c1ccccc1Sc2ccc3c(c2)[nH]nc3/C=C/c4ccccn4
CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCO
Cc1ccc(cc1Nc2nc(cs2)c3cccnc3)NC(=O)c4ccc(cc4)CN5CCN(CC5)C
C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
COc1cc2c(cc1OCCCN3CCOCC3)c(ncn2)Nc4ccc(c(c4)Cl)F
Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
NC(=N)N\N=C/c1c(nc2sc(Br)cn12)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(Cl)sc1Cl
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)C#N
NC(=N)N\N=C/c1c(nc2sc(F)cn12)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1cc(Cl)sc1Cl
COc1cc(c(OC)cc1-c1nc2sc3ccccc3n2c1\C=N\[NH+]=C(\N)[NH-])[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2ccccn2c1C=N[NH+]=C(N)[NH-])[N+]([O-])=O |w:19.21,21.23|
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(cc1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1ccc(Cl)c(c1)-[#7+](-[#8-])=O |w:5.5|
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(N)cc1
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2sccn2c1\C=N\NC(N)=N)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1ccc(cc1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cccc(c1)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc3ccccc3n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
COc1cc(c(OC)cc1-c1nc2sc(Cl)cn2c1\C=N\NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1cc(OC)c(cc1OC)[N+]([O-])=O)[N+]([O-])=O
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(Cl)cc1
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cccc(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccccc1
NC(=N)N\N=C\c1c(nc2sc(Cl)cn12)-c1ccc(F)cc1
Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
COc1cc(c(OC)cc1-c1nc2sc(C)nn2c1\C=N/NC(N)=N)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)cc1
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccccc1F
NC(=N)N\N=C/c1c(nc2sccn12)-c1c(F)cccc1F |(-8.3,-22.83,;-6.76,-22.81,;-6,-21.47,;-5.97,-24.14,;-4.43,-24.12,;-3.65,-25.45,;-4.15,-26.91,;-3.26,-28.17,;-4.19,-29.4,;-5.64,-28.9,;-7.11,-29.36,;-8,-28.1,;-7.08,-26.86,;-5.62,-27.36,;-1.72,-28.18,;-.97,-29.52,;-1.75,-30.85,;.57,-29.54,;1.36,-28.21,;.59,-26.87,;-.94,-26.86,;-1.71,-25.52,)|
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(F)c1
NC(=N)N\N=C/c1c(nc2sccn12)-c1cc(F)c(F)cc1F
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(F)c(c1)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1F)[N+]([O-])=O
NC(=N)N\N=C/c1c(nc2sccn12)-c1cccc(c1)C(F)(F)F
NC(=N)N\N=C/c1c(nc2sccn12)-c1ccc(Br)c(c1)[N+]([O-])=O
Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)cc1
Cc1cn2c(\C=N/NC(N)=N)c(nc2s1)-c1ccc(F)c(c1)[N+]([O-])=O
Clc1cc(c(Cl)s1)-c1nc2sc(Cl)cn2c1\C=N\NC1=NCCN1 |t:22|
Cc1nn2c(\C=N\NC3=NCCN3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
Clc1cc(c(Cl)s1)-c1nc2sc3ccccc3n2c1\C=N\NC1=NCCN1 |t:26|
[#7]\[#6](-[#7])=[#7]\[#7]=[#6]-c1c(nc2ccccn12)-c1cc(Cl)sc1Cl |w:5.5|
Clc1cc(c(Cl)s1)-c1nc2ccccn2c1-[#6]=[#7]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#7]-1 |w:16.18|
Cc1cn2c(\C=N\NC(=N)NN)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cccc(c1)[N+]([O-])=O
Cc1cn2c(\C=N\NC3=[NH+]CC[N-]3)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O |t:8|
CCCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(cc1)[N+]([O-])=O
Cc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(Cl)sc1Cl
Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1ccc(Cl)c(c1)[N+]([O-])=O
NC(=N)N\N=C\c1c(nc2sccn12)-c1cc(Cl)sc1Cl
CCc1cn2c(\C=N\NC(N)=N)c(nc2s1)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Cc1nn2c(\C=N\NC(N)=N)c(nc2s1)-c1ccc(Cl)c(c1)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cc(c(Cl)cc1Cl)[N+]([O-])=O
Cc1sc2nc(c(\C=N\NC(N)=N)n2c1C)-c1cccnc1
Cc1csc2nc(c(\C=N\NC(N)=N)n12)-c1cccnc1
CC(C)(C)c1cc(c(s1)NC(=O)Nc2cccc(c2Cl)Cl)C(=O)N3CCC(=O)N(CC3)CCN(C)C
NC[C@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12 |r|
NCC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
NC1CCN(CC1)c1ncnc2[nH]c3cnccc3c12
NCCCNc1ncnc2[nH]c3cnccc3c12
NCCNc1ncnc2[nH]c3cnccc3c12
NCC1CN(CCO1)c1ncnc2[nH]c3cc(ccc3c12)C#N
c1cncc2c1c3c([nH]2)ncnc3N4CCO[C@@H](C4)CN
NC[C@@H]1CN(CCO1)c1ncnc2[nH]c3ccccc3c12 |r|
c1cc(cc(c1)c2c[nH]c3c2c(ncn3)N4CCO[C@H](C4)CN)CO
NCC1CN(CCO1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
C[C@H](CN(C)C)Oc1c(ncc(n1)Nc2cc3cccc(c3cn2)Cl)C#N
C[C@@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N |r|
CC(CN(C)C)Oc1nc(Nc2cc3ccccc3cn2)cnc1C#N
CN(C)CCOc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N
Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12
Clc1cccc2cc(Nc3cnc(C#N)c(OCC4CCNCC4)n3)ncc12
Clc1cccc2cc(Nc3cnc(cn3)C#N)ncc12
N#Cc1ncc(Nc2cc3ccccc3cn2)nc1OCC1CCNCC1
N#Cc1cnc(Nc2cc3ccccc3cn2)cn1
N#Cc1ncc(Nc2cc3nc[nH]c3cn2)nc1OCC1CCNCC1
c1c(ncnc1Nc2cnc(cn2)C#N)NCC3CCNCC3
NCC1CCN(CC1)c1cc(Nc2cnc(cn2)C#N)ncn1
NCC1CCN(CC1)c1cc(Nc2cnccn2)ncn1
Fc1ccc2[nH]c(cc2c1)C(=O)N1C[C@]2(CCN(C2)C2CCCNC2)c2ccccc12 |r|
Fc1ccc2cc([nH]c2c1)C(=O)N1C[C@]2(CCN(C2)C2CCNC2)c2ccccc12 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccccc3[nH]1)c1ccccc21 |r|
C[C@@H]1CCC(CN1)N1CC[C@@]2(C1)CN(C(=O)c1cc3ccc(F)cc3[nH]1)c1ccccc21 |r|
Nc1nc(c(O)[nH]1)C1=C2C(=Nc3ccccc23)C(=O)NCC1 |c:10,t:8|
COc1ccc(cc1)-c1cc2c([nH]1)C(=O)NCCC2=C1NC(N)=NC1=O |w:18.19,c:25|
COc1ccc(CNC2=NC(=O)C(N2)=C2CCNC(=O)c3[nH]c(cc23)-c2ccccc2)cc1 |w:14.15,t:8|
O=C1N=C(NC2CCCCC2)NC1=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:13.25,t:2|
CCOC(=O)CCNC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(cc12)-c1ccccc1 |w:14.25,t:8|
C[C@@H]1C[C@H]2CN1CCn1[nH]c3c(cccc3c1=O)-c1nc3c(O2)cccc3[nH]c1=O
Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
O=C1NC(=O)c2c1c1cncn1c1[nH]c3ccccc3c21
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1scc2OCCOc12
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCOc12
NCCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
CNC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccsc1
CN(C)C(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccsc1
NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccsc1
COc1cc(cc(OC)c1C)-c1cnc(N)c(c1)-c1ccc(O)c(OC)c1
CN(C)CCNC(=O)c1cc(cnc1N)-c1ccsc1
COc1cc(ccc1O)-c1cc(cnc1N)-c1cc(OC)c(OC)c(OC)c1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccc1
CC(=O)Nc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
COc1cc(cc(OC)c1OC)-c1cnc(N)c(c1)-c1ccc(O)cc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccccn1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccnc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc2OCCOc12
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccc(F)c1
CN(C)CCCOc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccncc1
COc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc2OCOc2c1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cscn1
COCCOc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1nccs1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc2OCCOc2c1
CN(C)CCNC(=O)c1cc(cnc1N)-c1scc2OCCOc12
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cncs1
COc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
COCCOc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
NC(=O)CCNC(=O)c1cc(cnc1N)-c1ccsc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cccs1
COc1cc(ccc1O)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
COc1ccc(cc1OC)-c1cnc(N)c(c1)-c1ccc(cc1)C(N)=O
NCCNC(=O)c1cc(cnc1N)-c1ccsc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccsc1
NC(=O)c1cccc(c1)-c1cc(cnc1N)-c1ccsc1
Nc1ncc(cc1-c1ccc(cc1)C(=O)NCCO)-c1ccccc1
Nc1ncc(cc1-c1ccc(CO)cc1)-c1ccccc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1csc2ccccc12
CNc1ncc(cc1-c1ccc(cc1)C(N)=O)-c1ccsc1
NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccsc1
CCOC(=O)c1cc(cnc1N)-c1ccsc1
NC(=O)c1ccc(cc1)-c1cc(cnc1N)-c1cc2ccccc2s1
Nc1ncc(cc1-c1ccc(cc1)C(O)=O)-c1ccsc1
c1n[nH]cc1-c1cn2c(cnc2cn1)-c1ccccc1
c1n[nH]cc1-c1cnc2ncc(cn12)-c1cn[nH]c1
Cn1cc(cn1)-c1cnc2ncc(cn12)-c1cn[nH]c1
c1cc(n[nH]1)-c1cnc2ncc(cn12)-c1cn[nH]c1
c1n[nH]cc1-c1cn2c(cnc2cn1)-c1c[nH]c2ccccc12
NCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
OCc1cccc(c1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
OCc1ccc(cc1)-c1cn2c(cnc2cn1)-c1cn[nH]c1
O=C1NCCc2[nH]c(cc12)-c1ccncc1
CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
CC(C)Cn1c2ccc(Nc3ncccn3)cc2c2c3CNC(=O)c3c3-c4cn(C)nc4CCc3c12
CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r|
COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCN(CC1)C1CCNCC1
c1cc(cc(c1)F)c2cc(c(s2)C(=O)N[C@H]3CCCNC3)NC(=O)N
CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCCNC4)C
COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r|
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(cc3)-c3ccncc3)n2)c(=O)c1=O
c1cc(c(cc1Cl)CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCOC4=O)Cl
Clc1ccc(Cl)c(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)c1
COc1ccccc1CNc2ncc(c(n2)NC3CCCC3)C(=O)NCCCN4CCCC4=O
COc1ccc(CCNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1OC
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1 |(9.04,-43.08,;10.39,-42.35,;11.7,-43.16,;10.44,-40.81,;9.13,-40,;9.18,-38.46,;10.53,-37.74,;11.85,-38.53,;11.8,-40.08,;10.57,-36.2,;9.81,-34.87,;8.27,-34.86,;7.51,-33.53,;5.96,-33.52,;5.2,-32.19,;5.97,-30.85,;5.21,-29.52,;5.98,-28.19,;3.67,-29.52,;2.89,-30.86,;1.35,-30.86,;3.66,-32.19,;8.27,-32.2,;9.8,-32.19,;10.58,-33.53,;12.11,-33.53,;12.6,-34.99,;14.14,-34.99,;15.06,-36.23,;14.61,-33.52,;13.35,-32.62,)|
CN1CCC(CC1)NC(=O)c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1N[C@@H]1COC[C@H]1O |r|
CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)|
CN1CCC(CC1)NC(=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Fc1ccc(C(=O)Nc2ccc(Nc3ccnc4[nH]c(=O)c5ccccc5c34)cc2)c(c1)C(F)(F)F
c1ccc(cc1)C(=O)Nc2ccc(cc2)Nc3ccnc4c3-c5ccccc5C(=O)N4
C1CNCC2(C1)CCN(CC2)c1ncnc2nc[nH]c12
C1CCC2(CCN(CC2)c2ncnc3nc[nH]c23)NC1
COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(F)c4)n3)c(C)c2)cc1
CN(Cc1ccccc1)C(=O)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
CCc1cccc(CC)c1NC(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
CCc1ccccc1C(N(C)C)C(=O)Nc1ccc2[nH]nc(-c3cccc(c3)S(N)(=O)=O)c2c1
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(c1)-c1nc2ccccc2[nH]1 |r|
Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
N[C@H]1CCCC[C@H]1Nc1cnc(C(N)=O)c(n1)-c1nc2ccccc2[nH]1 |r|
CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r|