860 SMILES Strings for Histone-lysine N-methyltransferase EHMT2

Compound Name
SMILES String
CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12
CC(C)[C@H](NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(O)=O |r|
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)[C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(O)=O |r|
CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
CC(C)[C@H](NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](Cc1ccc(OP(O)(O)=O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(O)=O |r|
O=S(=O)(Nc1ccc2nc(oc2c1)-c1ccccc1)c1ccc(cc1)C#N
Brc1ccccc1S(=O)(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
COc1ccccc1C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Fc1ccccc1C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
Brc1cccc(c1)C(=O)Nc1ccc2nc(oc2c1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
COc1ccccc1S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
FC(F)(F)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
FC(F)(F)Oc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Fc1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
O=S(=O)(Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1)c1ccc(cc1)C#N
Brc1ccccc1S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Fc1ccccc1C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
Brc1cccc(c1)C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
COc1ccccc1C(=O)Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1
O=C(Nc1ccc2n(CCCc3ccccc3)c(nc2c1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1
COc1cc2c3[nH]c(CC4CCN(C)CC4)cc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3[nH]c(CC4CCN(CC4)C(C)C)cc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(Cl)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Cc1ccc(o1)-c1nc2cc(OCCCN3CCCC3)ccc2c2NCCCc12
COc1cc2c3NCCCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCNCC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C4CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C(C)C)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3N[C@@H](CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3N[C@H](CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C(C)=O)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(CC4)C4CCCCC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c3NC(CC4CCN(C)CC4)CCc3c(nc2cc1OCCCN1CCCC1)-c1cc(C)oc1C
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1cccnc21
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1ccc(CC3CCNCC3)nc21
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1ccc(C)o1)c1ccc(CC3CCN(C)CC3)nc21
COc1cc2c(cc1OCCCN1CCCC1)nc(-c1cc(C)oc1C)c1ccc(CC3CCN(C)CC3)nc21
COc1cc2nc3CCCc3c(NC(C)C)c2cc1OC
CCCOc1cc2nc3CCCc3c(NC)c2cc1OC
CNc1c2CCCc2nc2cc(OCCCOC)c(OC)cc12
CCOCCOc1cc2nc3CCCc3c(NC)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(C)C)c2cc1OC
COc1cc2c(NC(C)C)c3CCCc3nc2cc1OCCOCCO
COc1cc2nc3CCCc3c(NCC3CNC3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CCN3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(C)CC3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCCNC3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CN(C)C3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CN(C3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc3CCCc3c(NC3CNC3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccccc3)c2cc1OC
CCN1CCC(CC1)Nc1c2CCCc2nc2cc(OC)c(OC)cc12
COc1cc2nc3CCCc3c(NC3CCN(CC3)C3CCOCC3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CC4(C3)CN(C4)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)C3CCOC3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CC4(CNC4)C3)c2cc1OC
CC(C)N1CCC(CC1)Nc1c2CCCc2nc2cc3OCOc3cc12
COc1cc2c(NC(C)C)c3CCCc3nc2cc1OCCCCCO
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccncc3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3cccnc3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccccn3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3cccc(F)c3)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccccc3F)c2cc1OC
CCN1CC(C1)Nc1c2CCCc2nc2cc(OC)c(OC)cc12
COc1cc2nc3CCCc3c(N[C@H]3CCCNC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CCCNC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CCCN(C)C3)c2cc1OC |r|
COc1cc2c(NC(C)C)c3CCCc3nc2cc1OCCCC(C)O
COc1cc2nc3CCCCc3c(NC3CCN(CC3)C(C)C)c2cc1OC
COc1cc2nc3CCCCCc3c(NC3CCN(CC3)C(C)C)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCNCC3)c2cc1OC
COc1cc2c(NC3CCN(CC3)C(C)C)c3CCCc3nc2cc1O
COc1cc2c(NC3CCN(CC3)C(C)C)c3CCCc3nc2cc1OC(F)F
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccc(F)cc3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CC(C3)N(C)C)c2cc1OC |(-5.61,-3.47,;-5.61,-1.93,;-4.28,-1.15,;-2.94,-1.93,;-1.61,-1.15,;-.28,-1.93,;1.06,-1.15,;2.52,-1.63,;3.43,-.38,;2.52,.86,;1.06,.38,;-.28,1.15,;-.28,2.69,;1.06,3.47,;2.39,2.69,;2.79,1.21,;4.28,1.61,;3.88,3.09,;5.61,.84,;6.94,1.61,;5.61,-.7,;-1.61,.38,;-2.94,1.15,;-4.28,.38,;-5.61,1.15,;-6.94,.38,)|
COc1cc2nc3CCCc3c(NC3CC(C)(C)NC(C)(C)C3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CN(C3)c3ccccc3F)c2cc1OC
COc1cc2nc3CCCc3c(NCc3cn(C)cn3)c2cc1OC
COc1cc2nc3CCCc3c(N[C@@H]3CCCN(C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccccc3Cl)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(CO)CCl)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc3ccccc3c(NC3CCN(CC3)C(C)C)c2cc1OC
COc1cc2nc3CCCc3c(N[C@@H]3CCCCNC3)c2cc1OC |r|
COc1ccccc1N1CCC(CC1)Nc1c2CCCc2nc2cc(OC)c(OC)cc12
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3cccc(Cl)c3)c2cc1OC
COc1cc2c(NC3CCN(CC3)C(C)C)c3CCCc3nc2cc1OCCCO
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(=O)COCc3ccccc3)c2cc1OC
COc1cc2c(NC3CCN(CC3)C(C)C)c3CCCc3nc2cc1OCCO
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(=O)CO)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3ccncc3F)c2cc1OC
COc1cc2nc3CCCc3c(N(C3CCNCC3)C(N)=O)c2cc1OC
COc1cc2c(NC3CCN(CC3)C(C)C)c3CCCc3nc2cc1C1CC1
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(N)=O)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)c3cccc(F)c3F)c2cc1OC
COc1cc2nc3CCCc3c(NC3CCN(CC3)C3CCCC3)c2cc1OC
COCCN1CCC(CC1)Nc1c2CCCc2nc2cc(OC)c(OC)cc12
COc1cc2nc3CCCc3c(N[C@@H]3CCCNCC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CCCN(C)CC3)c2cc1OC |r|
CCN1CCC[C@H](CC1)Nc1c2CCCc2nc2cc(OC)c(OC)cc12 |r|
COc1cc2nc3CCCc3c(NCC3CCNC3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CCCN3)c2cc1OC
COc1cc2nc3CCCc3c(NCC3CCNCC3)c2cc1OC
COc1cc2nc3CCCc3c(NC[C@@H]3CCCNC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(NC[C@H]3CCCNC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(NC3CCN(CC3)C(C)C)c2nc1OC
COc1cc2nc3CCCc3c(N[C@@H]3CCCNC3)c2nc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CCCN(C)CC3)c2nc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CCCN(C)C3)c2nc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CCCCNC3)c2nc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNC[C@@H](C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(NCCNC(C)C)c2cc1OC
COc1cc2nc3CCCc3c(N[C@@H]3CCCCN(C)C3)c2nc1OC |r|
CCOc1cc2nc3CCCc3c(N[C@@H]3CCCNC3)c2cc1OCC |r|
CCOc1cc2nc3CCCc3c(N[C@@H]3CCCNC3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CNC[C@H](C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNC[C@H](C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNCC(F)(F)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(NC[C@@H]3C[C@H](F)CN3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNC[C@@H](F)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CNCC(F)(F)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNCC(C)(C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@@H]3CNCC(C)(C)C3)c2cc1OC |r|
COc1cc2nc3CCCc3c(N[C@H]3CNC[C@H](F)C3)c2cc1OC |r|
CNC(=O)CCC#Cc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCC(=O)N1CCCC1)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCC(F)(F)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCOCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCC2(CCCC2)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1C[C@@H]2C[C@@H]2[C@@H]1CO |r|
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCC(CC1)N(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCCC1
CCN(CC)CCC#Cc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCC(C)CC1)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(N[C@@H]3CCCN(Cc4ccccc4)C3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1 |r|
COc1cc2c(NCCN3CCCC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NCCCN(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCCCC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)c3ccccc3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NCc3cccnc3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CC(C)(C)NC(C)(C)C3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CC[C@@H](C)C1)N1CCCCC1 |r|
COc1cc2c(NCC3CCN(C)CC3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NCc3ccncc3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCC1)N1CCCCC1
COc1cc2c(NCCc3ccncc3)nc(nc2cc1C#CCCN(C)C)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCC(F)(F)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCC2(CCCC2)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCC2(CCCC2)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1C[C@@H]2C[C@@H]2[C@@H]1CO |r|
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCCC1)N1C[C@@H]2C[C@@H]2[C@@H]1CO |r|
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)C
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN(C)C)c(OC)cc12)N1CCCCC1
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCCC1
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N(C)C
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r|
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC(F)(F)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC(F)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)C
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CCCN(C)CC1
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N(C)C
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCC1
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1\C=C\CCN1CCCCC1)N1CCCCC1
CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCCC1
CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCC1
COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCCC1
COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
COc1cc2c(NCc3cccnc3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@H](F)C1 |r|
COc1cc2c(NC3CC(C)(C)NC(C)(C)C3)nc(nc2cc1C#CCCN1CCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r|
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1C#CCCN(C)C)N1CC[C@@H](F)C1 |r|
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@@H](F)C1 |r|
CCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CC[C@H](F)C3)c(OC)cc12)N1CCCC1 |r|
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@H](F)C1 |r|
COc1cc2c(NCCN(C)C)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
CNc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCCN1CCCC1)N(C)CC(=O)OC(C)(C)C
CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N(C)C
CCCN1CCC(CC1)Nc1nc(nc2cc(C#CCCN3CCCC3)c(OC)cc12)N1CC[C@@H](F)C1 |r|
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1\C=C\CCN1CCCC1)N1CCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1\C=C\CCN(C)C)N1CCCC1
COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(Nc3cnn(C)c3)nc2cc1C#CCCN1CCCC1
COc1cc2c(NC3CCN(CCO)CC3)nc(nc2cc1C#CCCN1CCCC1)N1CC[C@@H](F)C1 |r|
OC(=O)c1cccc(NCc2cccc(c2)-n2ccc3c(cccc23)-c2ccc(cc2)C(F)(F)F)c1
CCCCC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CCCc2ccccc2)[C@@H](O)[C@H]1O |r|
NC(C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)CC1CCCCC1 |r|
COc1ccc(CC(N)C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1OC |r|
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N
C[N@@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)Cc5ccccc5)OC)OC
CCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCN(C)CC1
CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N4CCOCC4)OC)OC
C[N@]1CCCN(CC1)c2nc3cc(c(cc3c(n2)NC4CCN(CC4)C)OC)OCCCN(C)C
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C
COc1cc2nc(nc(NC3CCN(C)C3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
CCCN(C)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCC1CCCNC1)N1CCCN(C)CC1
CNCCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)C)N1CCCN(C)CC1
CCN(CC)CCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCC(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCOCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCN(C)CCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCOCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC4CCCCC4)CC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)C4CCCCC4)OCCCN5CCCC5)OC
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(CC1)C(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)C(C)C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCOCCN(C)C)C1CCCCC1
CCN1CCCN(CC1)c1nc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)c1ccccc1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(Cc2ccccc2)CC1
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC1)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCCC1)N1CCCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCN(CC2CCCCC2)CC1
OC(CNCCc1c[nH]c2ccccc12)Cn1c2ccccc2c2ccccc12
COc1cc2nc(nc(NCCCCCN3CCCC3)c2cc1OC)N1CCCC1
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O
N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)NCc1cc([nH]n1)-c1ccccc1 |r|
CN1[C@H](CO)C(=O)N2[C@H](C[C@]3([C@@H]2Nc2ccccc32)[C@]23C[C@H]4N([C@H]2Nc2ccccc32)C(=O)[C@@H](CO)N(C)C4=O)C1=O |r|
CN1[C@@H](CO)C(=O)N2[C@@H](C[C@@]3([C@H]2Nc2ccccc32)[C@@]23C[C@@H]4N([C@@H]2Nc2ccccc32)C(=O)[C@H](CO)N(C)C4=O)C1=O |r|
OC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c3ccccc3)nc2c1
CN1C(=O)[C@]23C[C@@]4([C@@H](Nc5ccccc45)N2C(=O)[C@@]1(CO)SS3)[C@@]12C[C@@]34SS[C@@](CO)(N(C)C3=O)C(=O)N4[C@@H]1Nc1ccccc21 |r,TLB:38:37:31.33:27.26,36:35:31.33:27.26,THB:17:16:1.2:21.22,7:15:1.2:21.22|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)[C@]12C[C@]34SS[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,THB:36:35:31.33:26.27,7:15:1.2:22.21,38:37:31.33:26.27,17:16:1.2:22.21|
CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCC4)c1c23)N1CCCC1
CN(C)CCNc1cc(N2CCCCC2)c2noc3-c4ccccc4C(=O)c1c23
CN(C)c1cc(NCCCN2CCCC2)c2C(=O)c3ccccc3-c3onc1c23
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCCC4)c1c23)N1CCN(CC1)c1ccccc1
COc1ccc(Nc2cc(N3CCN(C)CC3)c3noc4-c5ccccc5C(=O)c2c34)cc1
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCC4)c1c23)N1CCCCC1
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCC4)c1c23)N1CCN(CC1)c1ccccc1
CN1CCCN(CC1)c1cc(NCCN2CCCC2)c2C(=O)c3ccccc3-c3onc1c23
CN(C)CCNc1cc(N2CCN(C)CC2)c2noc3-c4ccccc4C(=O)c1c23
CN1CCN(CC1)c1cc(NCCN2CCCCC2)c2C(=O)c3ccccc3-c3onc1c23
CN(C)CCNc1cc(N2CCCC2)c2noc3-c4ccccc4C(=O)c1c23
CN1CCN(CC1)c1cc(NCCN2CCCC2)c2C(=O)c3ccccc3-c3onc1c23
CN(C)CCNc1cc(N2CCN(CC2)c2ncccn2)c2noc3-c4ccccc4C(=O)c1c23
CN(C)c1cc(NCCN2CCCC2)c2C(=O)c3ccccc3-c3onc1c23
O=C1c2ccccc2-c2onc3c(cc(NCCN4CCCC4)c1c23)N1CCN(CC1)c1ncccn1
CN(C)CCNc1cc(N(C)C)c2noc3-c4ccccc4C(=O)c1c23
CN1CCCN(CC1)c1cc(NCCN2CCCCC2)c2C(=O)c3ccccc3-c3onc1c23
CCN1CCN(CC1)c1cc(NCCN2CCCC2)c2C(=O)c3ccccc3-c3onc1c23
CN(C)C(=O)Nc1ccc(CN2CCC(CC2)C(O)(c2ccc(cc2)C(F)(F)F)c2ccc(cc2)C(F)(F)F)cc1
COc1cc2nc(nc(NC3CCNCC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC3CCOCC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC3CCCCC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC3CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC(C)C)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(Cl)nc(NC3CCN(C)CC3)c2cc1OC
COc1cc2nc(nc(N(C)C3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(OC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
CNc1nc(nc2cc(OC)c(OC)cc12)N1CCCN(C)CC1
COCCCCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCNC(=O)OC(C)(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCCC(N)=O)N1CCCN(C)CC1
COc1ccc(cc1)C(=O)Oc1ccc(CCn2c(NC(=O)c3ccc(cc3)C(F)(F)F)nc3cc(ccc23)C(O)=O)cc1
CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)C(=C)N(C)C2=O |r,c:6,t:4|
CN1C(=O)[C@]23Cc4ccccc4N2C(=O)[C@@]1(CO)SS3 |r,TLB:11:12:1.2:19.18,14:13:1.2:19.18|
CS[C@@]12CC3=CC=C[C@H](O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r,c:6,t:4|
CS[C@@]12Cc3cccc(O)c3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r|
CN1C(=O)[C@]23Cc4cccc(O)c4N2C(=O)[C@@]1(CO)SS3 |r,TLB:12:13:1.2:20.19,15:14:1.2:20.19|
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SS3 |r,c:8,t:6,THB:12:13:1.2:19.20,15:14:1.2:19.20|
CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SSSS3 |r,c:8,t:6,TLB:12:13:1.2:22.21.20.19,15:14:1.2:22.21.20.19|
N[C@@H](CC1CCCC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
N[C@H](CC1CC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
N[C@@H](CC1CC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
N[C@@H](CC1CCC1)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
COc1cc2nc(NCCCCCCO)nc(NC3CCN(C)CC3)c2cc1OC
COc1cc2nc(NCCCCC(C)C)nc(NC3CCN(C)CC3)c2cc1OC
COCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(NCC(C)(C)C)nc(NC3CCN(C)CC3)c2cc1OC
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCC1
CN1CCC(CC1)Nc2c3cc(c(cc3nc(n2)N(C)C4CCCC4)OC)OC
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCOCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)c1ccccc1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CC(C)(C)C
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CC1CCCCC1
COc1cc2nc(NC3CCCCC3)nc(NC3CCN(C)CC3)c2cc1OC
CCCCN(CCC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCN(CC)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CCCO
CCCN(C)c1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC
CCCCCCNc1cc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(cc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
CCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C(C)C
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CCN(C)C
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)Cc1ccccc1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CCO
COCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)C1CCCCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N(C)CC(C)C
N[C@@H](CCCN(CCI)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r|
CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CN(CCI)CCC[C@H](N)C(O)=O)[C@@H](O)[C@H]1O |r|
CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)CCCCCN)OC)OCCCCCN
CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@@](CO)(SC)N(C)C2=O |r,c:6,t:4|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(C)SS3)[C@]12C[C@]34SS[C@](C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,TLB:17:16:1.2:20.21,7:15:1.2:20.21,THB:34:33:29.31:26.25,36:35:29.31:26.25|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)SS3)n1cc(C[C@]23SS[C@](CO)(N(C)C2=O)C(=O)N3C)c2ccccc12 |r,TLB:17:16:1.2:21.22,7:15:1.2:21.22|
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccnc(c1)N1CCN(C)CC1
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
CC(C)n1ncc2c(cc(cc12)-c1ccc(nc1)N1CCN(C)CC1)C(=O)NCc1c(C)cc(C)[nH]c1=O
Nc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C(F)(F)F
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCOCC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cc2ccccc2o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)-c1ccccc1
CCc1ccc(o1)-c1cc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(CN(C)C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)C#N
COc1cc2c(NC3CCNCC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(CC3)C3CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(CC2)C2CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
C1=NC(=NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)N
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1=CCCCC1 |t:33|
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccccc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccccc1C
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cccnc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccoc1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccnn1C
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccn(C)n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1=CCOCC1 |t:33|
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1
COc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
CCNCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)[nH]1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)s1
COc1cc2c(NC3CCN(C)CC3)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)N1CCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1cc[nH]c(=O)c1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)C1CCC(C)O1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(CO)o1
CNCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:73,75,78|
C[C@@H](O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=S)Nc1ccc(C2=C3C=CC(O)=CC3Oc3cc(O)ccc23)c(c1)C(O)=O)[C@@H](C)O)[C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(O)=O |r,c:87,89,92|
COc1cc2c(NCC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCC22CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCC(F)C1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1
COc1cc2c(NC3CCC33CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN(C)C)cc2n1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(cc12)C#N)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(OC(F)(F)F)cc12)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)ccc12)-c1ccc(C)o1
COc1cc2c(OC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4CCC(C3)N4C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CCNCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C1CC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCC33CCN(C)C3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC(C)(C)C3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(C)C(=O)C3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCCO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCCC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2nc(cc(NC3CCN(C)CC3)c2cc1OC)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(Cl)cc12)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NCC2C3CCC2CN(C)C3)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(CC4)C(C)C)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NC3CC4(C3)CCN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)C(C)C)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CNC(=O)CCNc1cc(nc2cc(OCCCN3CCCC3)c(OC)cc12)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCOCC3)cc2n1
COc1cc2c(cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1)N(C)C1CCN(C)CC1
COc1cc2c(NCC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1
COc1cc2c(NCc3ccccc3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
CN1CCC(CC1)Nc1cc(nc2cc(OCCCN3CCCC3)c(O)cc12)-c1ccc(C)o1
CCc1ccc(o1)-c1cc(NCC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
CN1C(=O)C23CCCN2C(=O)C1(CO)SSS3
CN1C(=O)C23CCCN2C(=O)C1(CO)SS3
CN1C(=O)C2(S)CCCN2C(=O)C1(S)CO
CN1C(=O)[C@]23C[C@@H]4[C@@H](Nc5ccccc45)N2C(=O)[C@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29|
CN1C(=O)[C@@]23C[C@H]4[C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 |r,THB:7:15:1.2:28.29,17:16:1.2:28.29|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO)S3)[C@]12C[C@]34S[C@@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r|
CN1C(=O)[C@@]2(S)C[C@]3([C@H](Nc4ccccc34)N2C(=O)[C@@]1(S)CO)[C@]12C[C@@]3(S)N([C@H]1Nc1ccccc21)C(=O)[C@@](S)(CO)N(C)C3=O |r|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3)[C@]12C[C@]34SS[C@@](CO[Si](C)(C)C(C)(C)C)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r,TLB:50:49:45.47:34.33,52:51:45.47:34.33,THB:7:15:1.2:28.29,17:16:1.2:28.29|
c1ccc(cc1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)C1CCOCC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCS(=O)(=O)CC1
COc1cc2c(NC3CCN(CC3)C3CC3)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCOCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCOCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCC(F)(F)CC1)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CC(F)(F)C(F)(F)C1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCS(=O)(=O)CC1
COc1cc2c(cc1OCCCC1CCCC1)N=C(N)C2(C)C |t:19|
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C2(C)C |t:19|
COc1cc2c(cc1OCCCN1CC[C@H](F)C1)N=C(N)C21CCC1 |r,t:20|
COc1cc2c(cc1OCCCN1CC[C@@H](F)C1)N=C(N)C21CCC1 |r,t:20|
COc1cc2c(cc1OCCCn1ccnc1)N=C(N)C21CCC1 |t:19|
COc1cc2c(cc1OCCCN1CC(F)(F)C1)N=C(N)C21CCC1 |t:20|
COc1cc2c(cc1OCCCN1CC(F)C1)N=C(N)C21CCC1 |t:19|
COc1cc2c(cc1OCCC1CCCN1C)N=C(N)C21CCC1 |t:19|
COc1cc2c(cc1OCC1CCCN1C)N=C(N)C21CCC1 |t:18|
COc1cc2c(cc1OCC1CCN(C)C1)N=C(N)C21CCC1 |t:18|
COc1cc2cc(N)[nH]c2cc1OC
COc1ccc2N=C(N)C3(CCC3)c2c1 |t:6|
COc1cc2N=C(N)C3(CCCCC3)c2cc1OC |t:5|
COc1cc2N=C(N)C3(CCCC3)c2cc1OC |t:5|
COc1cc2N=C(N)C3(CCC3)c2cc1OC |t:5|
O=C1[C@@H]2SS[C@H](N1Cc1ccccc1)C(=O)N2Cc1ccccc1 |r|
CN1C(=O)[C@@]23C[C@]4([C@H](Nc5ccccc45)N2C(=O)[C@]1(CO)S3)[C@]12C[C@]34S[C@](CO)(N(C)C3=O)C(=O)N4[C@H]1Nc1ccccc21 |r|
O=C1N([Se]c2ccccc2)C(=O)c2ccccc12
S(Sc1ccccn1)c1ccccn1
C(CS)N
CN(C)C(=S)SSC(=S)N(C)C
CCN(CC)C(=S)SSC(=S)N(CC)CC
O[Se](=O)c1ccccc1
Br[Se]c1ccccc1
O=c1n([se]c2ccccc12)-c1ccccc1
CCN(CC)C([S-])=S
NCCSSCCN
O=C1C=CC(=O)c2ccccc12 |c:2|
OC1(O)C(=O)c2ccccc2C1=O
[O-][Se](=O)(=O)[O-]
C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O
c1ccc2c(c1)C(=O)c3ccccc3C2=O
[Se]([Se]c1ccccc1)c1ccccc1
Cl[Se]c1ccccc1
NC(=O)\N=N\C(N)=O
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCCCCC(=O)NO)N1CCCN(C)CC1
CNC(=O)CCCCC(=O)NCCNc1nc(NC2CCN(C)CC2)c2ccc(OC)cc2n1
COc1ccc2c(NC3CCN(C)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCC(=O)NO)nc2c1
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCCCC(=O)NO)nc2c1
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1
COc1cc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(C)CC1
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CC1)c1ccccn1
COc1cc2nc(cc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCCCC1
CCCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C)N1CCOCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1F)N1CCOCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OC(C)C)N1CCOCC1
CCOc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCOCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1C)N1CCOCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1F)N1CCOCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC(C)C)N1CCOCC1
CCOc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OC)N1CCOCC1
COc1cc2nc(nc(NC3CCN(CC3)C3CC3)c2cc1OC)N1CCOCC1
COc1cc2nc(nc(NC3CCN(CC3)C(C)C)c2cc1OC)N1CCOCC1
CCCN1CCC(CC1)Nc1nc(nc2cc(OC)c(OC)cc12)N1CCOCC1
CCN1CCC(CC1)Nc1nc(nc2cc(OC)c(OC)cc12)N1CCOCC1
CCCCCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)C)OC)OC
CCCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCCN(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
CCCCNc1nc(NC2CCN(C)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)C1CCOCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)C1CCCCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCCCC1
COc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCC(F)(F)CC1
COc1ccc(CN2CCC(CC2)Nc2nc(Nc3ccc(NC(=O)CCCCCCC(=O)NO)cc3)nc3cc(OC)c(OC)cc23)cc1
COc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:19|
CC(C)Oc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:21|
COc1cc2c(cc1OCCCN1Cc3ccccc3C1)N=C(N)C21CCCC1 |t:24|
NC1=Nc2cc(OCCCN3CCCC3)c(OCC3CC3)cc2C11CCCC1 |t:1|
CCOc1cc2c(cc1OCCCN1CCCC1)N=C(N)C21CCCC1 |t:20|
N[C@@H](CCN(CC#Cc1cccc(c1)C(N)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1
COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1O)N1CCN(CC1)c1ccccc1
COc1cc2nc(NCc3ccc(F)cc3)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1
CCCCOc1ccc(cc1C)S(=O)(=O)Nc1ccc(cc1)C(O)=O
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(N)=O)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1N1CCN(C)CC1)C1CCCCC1
CCOc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN(C)C)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN1CCCC1=O)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN(C)C)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1C#CCN)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1NC(=O)NCCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1NC(=O)CCCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1NC(=O)CCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1-c1cccnc1)N1CCCN(C)CC1
CCc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
CCCc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCC1CCNCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1=O)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1=O)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCNC(C)=O)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCCCN1CCCC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)N1CCNCC1)N1CCCN(C)CC1
CC(C)N1CCC(CC1)Nc1nc(nc2cc(CCCN(C)C)c(F)cc12)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1NC(=O)CCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN(C)CCO)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCN)N1CCCN(C)CC1
CC(C)N1CCC(CC1)Nc1nc(nc2cc(N3CCN(C)CC3)c(F)cc12)C1CCCCC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN(C)C)C1CCCCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C1CCCNC1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1-c1ccccn1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCc1ccccn1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)CCO)N1CCCN(C)CC1
CNCC#Cc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCCCN)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C1CCCCN1)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C#CCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN)C1CCCCC1
CCN1CCC(CC1)c1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1C(=O)NCCN(C)C)N1CCCN(C)CC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCC1CCCCN1)N1CCCN(C)CC1
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CCCN(CC[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(=O)N[C@@H](C)C(N)=O |r|
N[C@@H](C[C@H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
CC(CNC(=O)Nc1ccc(cc1)C(C)(C)C)CN(C)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r|
COc1cc2c(NC(CN=C2NC2CCN(CC2)C(C)C)c2ccccc2)cc1OCCCN1CCCC1 |c:9|
COc1cc2c(cc1OCCCN1CCCC1)N=C(CN=C2NC1CCN(CC1)C(C)C)c1ccccc1 |c:19,22|
COc1cc2c(NC(CN=C2NC2CCN(CC2)C(C)C)C2CCCCC2)cc1OCCCN1CCCC1 |c:9|
CC(C)N1CCC(CC1)NC2=NCC(=Nc3c2cc(c(c3)OCCCN4CCCC4)OC)C5CCCCC5
COc1cc2N=C(CC(=Nc2cc1OCCCN1CCCC1)C1CCCCC1)NC1CCN(CC1)C(C)C |c:5,8|
c1cc(cc(c1)C(=O)N)C#C[C@@H](CC[C@@H](C(=O)O)N)C[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O)N)C#N
NC(=N)c1ccc(Nc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
CNC(=N)N\N=C(\C)c1ccc2oc3ccc(cc3c2c1)C(\C)=N\NC(=N)NC
C1CN=C(N1)c1cc2cc(ccc2o1)-c1cc2ccc(cc2[nH]1)C1=NCCN1 |c:2,t:28|
CNCC(=O)NC1=CC2C(C=C1)C(=O)c1cc(NC(=O)CNC)ccc1C2=O |c:10,t:6|
Nc1nc(N)c2nc3c(ccc4ccccc34)nc2n1
CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4[nH]ncc4c3)n2)cc1
CC(C)(C)c1ccc(NC(=O)c2ncn(CC(=O)NCc3ccc4c(N)nccc4c3)n2)cc1
NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Cc1cc(nc(n1)Nc2ccc(c(c2)OCCCN3CCCC3)OC)NC
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCN(C)C2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCNCC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2CCN(C)CC2)n1
CNc1cc(C)nc(Nc2ccc(OC)c(c2)N2CCN(C)CC2)n1
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)C2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(C)CCC2)n1 |t:18|
Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)NC
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCCNCC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2CCCNCC2)n1
CCN1CCCC(=CC1)c1cc(Nc2nc(C)cc(NC)n2)ccc1OC |c:6|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCC2)C2CCC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC)c(c2)C2=CCN(CCO)CCC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(Cl)c(c2)C2=CCNCCC2)n1 |t:17|
CNc1cc(C)nc(Nc2ccc(C)c(c2)C2=CCNCCC2)n1 |t:17|
CNc1cc(C)nc(Nc2ccc(C#N)c(c2)C2=CCNCCC2)n1 |t:18|
CNc1cc(C)nc(Nc2ccc(OC(F)F)c(c2)C2=CCNCCC2)n1 |t:20|
CNc1cc(C)nc(Nc2ccc(OC(F)(F)F)c(c2)C2=CCNCCC2)n1 |t:21|
COc1ccc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCNC(=O)CCCCC(=O)NO)nc2c1
CN1CCN(CC1)c1ccc(cc1NC(=O)c1cc(N)c(F)c(C)c1Cl)-n1cc(nn1)C(=O)NCCCN1CCOCC1
c1ccc(cc1)NC(=O)CCCCCCC(=O)NO
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCc3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCC(CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(23,-19.22,;24.34,-18.45,;25.68,-19.22,;27.01,-18.45,;28.34,-19.21,;29.67,-18.44,;29.66,-16.9,;30.99,-16.12,;32.33,-16.89,;32.32,-18.44,;33.65,-19.21,;34.99,-18.44,;34.99,-16.89,;33.65,-16.12,;36.33,-19.21,;36.33,-20.75,;37.66,-18.44,;38.99,-19.21,;31.01,-19.2,;31.01,-20.75,;29.68,-21.52,;28.34,-20.76,;27.01,-21.53,;25.68,-20.76,;24.34,-21.53,;24.34,-23.07,;23.01,-23.84,;23.01,-25.38,;21.67,-26.15,;20.26,-25.52,;19.23,-26.67,;20,-28,;21.5,-27.68,;32.35,-21.51,;33.76,-20.88,;34.79,-22.02,;34.03,-23.35,;34.66,-24.76,;32.52,-23.04,)|
COc1cc2c(NCC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)C3CCC(CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(44.4,-30.77,;45.73,-30,;47.08,-30.78,;48.4,-30.01,;49.74,-30.77,;51.07,-30,;51.06,-28.46,;52.39,-27.68,;53.72,-28.45,;53.72,-30,;55.04,-30.78,;56.39,-30.01,;56.39,-28.47,;55.05,-27.69,;57.72,-30.79,;57.71,-32.33,;59.03,-33.1,;60.37,-32.34,;60.37,-30.79,;59.04,-30.02,;61.7,-33.11,;61.7,-34.65,;63.04,-32.34,;64.37,-33.12,;52.4,-30.76,;52.41,-32.31,;51.08,-33.08,;49.74,-32.31,;48.41,-33.09,;47.07,-32.32,;45.74,-33.09,;45.74,-34.63,;44.4,-35.4,;44.4,-36.94,;43.07,-37.71,;41.66,-37.08,;40.62,-38.22,;41.39,-39.56,;42.9,-39.24,;53.75,-33.07,;55.15,-32.43,;56.19,-33.57,;55.42,-34.91,;56.05,-36.32,;53.91,-34.6,)|
COc1cc2c(NCC3CCC(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |(5.35,-49.68,;6.68,-48.91,;8.02,-49.68,;9.35,-48.91,;10.69,-49.68,;12.01,-48.9,;12.01,-47.36,;13.34,-46.59,;14.67,-47.36,;14.66,-48.91,;15.99,-49.68,;17.33,-48.92,;17.34,-47.37,;16,-46.59,;18.66,-49.69,;18.65,-51.23,;19.98,-52.01,;21.32,-51.24,;21.32,-49.69,;19.99,-48.93,;22.65,-52.02,;22.65,-53.56,;23.99,-51.25,;25.32,-52.02,;13.35,-49.66,;13.36,-51.21,;12.02,-51.99,;10.69,-51.22,;9.36,-52,;8.02,-51.23,;6.69,-52,;6.69,-53.54,;5.35,-54.3,;5.35,-55.84,;4.02,-56.61,;2.61,-55.98,;1.57,-57.13,;2.34,-58.46,;3.85,-58.14,;14.69,-51.97,;16.1,-51.34,;17.13,-52.48,;16.37,-53.82,;17,-55.22,;14.86,-53.5,)|
COc1cc2c(NCc3ccc(cc3)-c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCc3ccc(cc3)[C@H]3CC[C@@H](CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |r,wU:14.14,wD:17.21,(52.14,-46.19,;53.47,-45.42,;54.82,-46.19,;56.15,-45.42,;57.48,-46.19,;58.81,-45.41,;58.8,-43.87,;60.13,-43.1,;61.47,-43.87,;61.46,-45.42,;62.79,-46.19,;64.13,-45.43,;64.13,-43.88,;62.79,-43.1,;65.46,-46.2,;66.79,-45.44,;68.12,-46.21,;68.12,-47.75,;66.78,-48.52,;65.45,-47.74,;69.45,-48.53,;69.44,-50.07,;70.78,-47.76,;72.12,-48.54,;60.14,-46.17,;60.15,-47.72,;58.82,-48.5,;57.48,-47.73,;56.15,-48.51,;54.81,-47.74,;53.48,-48.51,;53.48,-50.05,;52.14,-50.82,;52.14,-52.36,;50.81,-53.13,;49.4,-52.5,;48.37,-53.64,;49.14,-54.97,;50.64,-54.66,;61.49,-48.48,;62.89,-47.85,;63.93,-48.99,;63.16,-50.33,;63.8,-51.73,;61.66,-50.01,)|
COc1cc2c(NCc3ccc(cc3)[C@@H]3CC[C@@H](CC3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 |r,wU:14.14,17.21,(5.03,-4.91,;6.36,-4.14,;7.71,-4.92,;9.03,-4.14,;10.37,-4.91,;11.7,-4.14,;11.69,-2.6,;13.02,-1.82,;14.35,-2.59,;14.35,-4.14,;15.67,-4.92,;17.02,-4.15,;17.02,-2.61,;15.68,-1.83,;18.35,-4.93,;18.34,-6.47,;19.66,-7.24,;21,-6.48,;21.01,-4.93,;19.68,-4.16,;22.34,-7.25,;22.33,-8.79,;23.67,-6.48,;25,-7.26,;13.03,-4.9,;13.04,-6.44,;11.71,-7.22,;10.37,-6.45,;9.04,-7.23,;7.7,-6.46,;6.37,-7.23,;6.37,-8.77,;5.03,-9.54,;5.03,-11.08,;3.7,-11.85,;2.29,-11.22,;1.25,-12.36,;2.02,-13.7,;3.53,-13.38,;14.38,-7.21,;15.78,-6.57,;16.82,-7.71,;16.05,-9.05,;16.68,-10.45,;14.54,-8.74,)|
COc1cc2c(NC3CCN(CC3)c3ccc(cc3)C(=O)NO)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(C)nc2cc1OCCCN1CCCC1
COc1cc2c(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3C4CCC3CN(C4)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCc3ccc(cc3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCC(CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(18.22,-51.09,;18.22,-49.55,;19.56,-48.78,;20.89,-49.55,;22.22,-48.77,;23.56,-49.54,;24.89,-48.76,;24.88,-47.21,;23.55,-46.45,;23.54,-44.91,;24.87,-44.14,;26.21,-44.91,;26.2,-46.46,;27.53,-47.23,;28.87,-46.47,;28.87,-44.92,;27.54,-44.14,;30.2,-47.24,;30.19,-48.78,;31.53,-46.48,;32.87,-47.25,;22.22,-47.23,;20.89,-46.46,;19.56,-47.23,;18.21,-46.46,;16.88,-47.23,;26.23,-49.52,;27.63,-48.88,;28.67,-50.02,;27.91,-51.36,;28.54,-52.76,;26.4,-51.05,)|
COc1cc2nc(cc(NCc3ccc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(Cc4ccc(cc4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(Cc4ccc(s4)C(=O)NO)CC3)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(cc(NCC3CCN(CC3)C3CC(C3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |(23.21,-8.51,;23.21,-6.97,;24.55,-6.2,;25.88,-6.97,;27.22,-6.2,;28.55,-6.96,;29.89,-6.19,;29.88,-4.64,;28.54,-3.88,;28.53,-2.34,;29.86,-1.56,;31.2,-2.33,;31.19,-3.89,;32.52,-4.66,;33.86,-3.89,;33.87,-2.35,;32.53,-1.57,;35.19,-4.67,;35.58,-6.17,;37.07,-5.77,;36.68,-4.28,;38.4,-6.55,;38.39,-8.09,;39.74,-5.78,;41.07,-6.56,;27.22,-4.65,;25.88,-3.89,;24.55,-4.66,;23.21,-3.89,;21.87,-4.66,;31.22,-6.95,;32.63,-6.31,;33.66,-7.45,;32.9,-8.78,;33.54,-10.19,;31.4,-8.47,)|
COc1cc2nc(cc(N[C@H]3CC[C@H](CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |r,wU:10.9,13.16,(4.91,-22.33,;4.91,-20.79,;6.24,-20.02,;7.57,-20.79,;8.91,-20.02,;10.24,-20.78,;11.58,-20.01,;11.57,-18.46,;10.23,-17.7,;10.22,-16.16,;11.55,-15.38,;11.54,-13.84,;12.88,-13.07,;14.21,-13.83,;14.21,-15.37,;12.89,-16.14,;15.55,-13.06,;16.88,-13.83,;15.54,-11.52,;16.88,-10.75,;8.91,-18.47,;7.57,-17.71,;6.24,-18.48,;4.9,-17.71,;3.56,-18.48,;12.91,-20.77,;14.32,-20.13,;15.35,-21.27,;14.59,-22.6,;15.23,-24.01,;13.09,-22.29,)|
COc1cc2nc(cc(N[C@H]3CC[C@@H](CC3)C(=O)NO)c2cc1OC)-c1ccc(C)o1 |r,wU:10.9,wD:13.16,(17.68,-22.69,;17.68,-21.15,;19.01,-20.38,;20.35,-21.15,;21.68,-20.37,;23.01,-21.14,;24.35,-20.37,;24.34,-18.82,;23,-18.06,;23,-16.52,;24.33,-15.74,;24.31,-14.2,;25.65,-13.42,;26.98,-14.19,;26.98,-15.73,;25.66,-16.5,;28.32,-13.42,;29.65,-14.19,;28.31,-11.88,;29.65,-11.11,;21.68,-18.83,;20.34,-18.07,;19.01,-18.84,;17.67,-18.06,;16.34,-18.83,;25.69,-21.13,;27.09,-20.49,;28.12,-21.63,;27.36,-22.96,;28,-24.36,;25.86,-22.65,)|
COc1cc2nc(cc(NCC3CCN(CC3)c3ccc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
COc1cc2nc(C)cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)C1CCCCC1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccccc1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)N1CCCCC1
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1cc(C)oc1C
COc1cc2nc(cc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)s1
COc1cc2nc(nc(NCC3CCN(CC3)c3ncc(cn3)C(=O)NO)c2cc1OC)-c1ccc(C)o1
CN(C)C(=O)c1ccc(cc1)-c1cc(Nc2ncnc(Cl)c2N)c(cc1F)N1CCN(C)CC1
COc1cc2ccc(N)nc2cc1OCCCN1CCCC1
COc1cc2cc(C)c(N)nc2cc1OCCCN1CCCC1
CCc1cc2cc(OC)c(OCCCN3CCCC3)cc2nc1N
COc1cc2cc3CCNc3nc2cc1OCCCN1CCCC1
COc1cc2nc(C)c(N)nc2cc1OCCCN1CCCC1
COc1cc2cc(C)c(NCc3ccccc3)nc2cc1OCCCN1CCCC1
COc1cc2cc(N)cnc2cc1OCCCN1CCCC1
COc1cc2cccnc2cc1OCCCN1CCCC1
COc1cc2c(N)ccnc2cc1OCCCN1CCCC1
COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CCC1
COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CCCC1
COc1cc2c(NCC(O)=O)ccnc2cc1OCCCN1CCCC1
COc1cc2c(NCC(N)=O)ccnc2cc1OCCCN1CCCC1
COc1cc2c(NCCC(O)=O)ccnc2cc1OCCCN1CCCC1
COc1cc2c(NCCC(N)=O)ccnc2cc1OCCCN1CCCC1
COc1cc2c(NCCN)ccnc2cc1OCCCN1CCCC1
COc1cc2c(NCCNC(C)=O)ccnc2cc1OCCCN1CCCC1
COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CC(C1)C(O)=O
COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CC(C1)C(N)=O
COc1cc2c(ccnc2cc1OCCCN1CCCC1)N1CC2(CCN2)C1
CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccccc4)OC)OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCNCC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(C)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CCCc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4cccc5ccccc45)CC3)c2cc1OC
CN(C)CCCNc1nc2cc(c(cc2c(n1)NC3CCN(CC3)Cc4ccc5ccccc5c4)OC)OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccc(cc4)-c4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(N(C)C3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(OC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)C(=O)c3ccccc3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(CC3)C(=O)OC(C)(C)C)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NC3CCN(Cc4ccccc4)C3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NCC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NCCCNc3ccccc3)c2cc1OC
COc1cc2nc(NCCCN(C)C)nc(NCCNc3cccc4ccccc34)c2cc1OC
COc1cc2nc(NCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCCCN(C)C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)Cc3ccccc3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN(C)CC#C)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
CCN(CC)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2cc(OC)c(OC)cc2n1
COc1cc2nc(NCCCN3CCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN3CCCCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN3CCOCC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NCCCN3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(NC3CCN(C)CC3)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N(C)CCCN(C)C
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
COc1cc2c(NCCNc3cccc4ccccc34)nc(NCCCN(C)C)nc2cc1OCc1ccccc1
CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NC(=O)C=C)OCCCN4CCCC4)OC
COc1cc2c(NC3CCN(CC3)C(C)C)cc(NC(=O)C=C)nc2cc1OCCCN1CCCC1
CCC(=O)Nc1cc(NC2CCN(CC2)C(C)C)c2cc(OC)c(OCCCN3CCCC3)cc2n1
N[C@@H](CCSC[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
N[C@@H](CCCN(CCI)C[C@@H]1O[C@@H]([C@@H](O)[C@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r|
CCOc1ccc(Nc2cc(C)nc3ccc(Cl)cc23)cc1
CN1CCCC(=CC1)c2cc3c(cc2OC)C4(CCC4)C(=N3)N
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@H](CCC1CC1)C(=O)Nc1ccc(cc1)C#N |r|
Cc1c2c([nH]c1C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccccc4)CC(CC2=O)(C)C
CSCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c1nc2ccccc2[nH]1
Cc1c2c([nH]c1C(=O)N[C@@H](CCSC)c3[nH]c4ccccc4n3)CC(CC2=O)(C)C
CN(C)CC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c1nc2ccccc2[nH]1 |r|
CN(C)CCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c1nc2ccccc2[nH]1 |r|
CCCC[C@@H](c1[nH]c2ccccc2n1)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C
CCCC[C@@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)c1nc2ccccc2[nH]1 |r|
CCCC[C@@H](C(=O)Nc1ccccc1)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C
CCCC[C@@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1 |r|
CCCCC(NC(=O)c1oc2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1
CCCCC(NC(=O)c1c(C)c2c(CC(C)(C)CC2=O)n1C)C(=O)Nc1ccccc1
CCCCC(NC(=O)c1[nH]c2CCCC(=O)c2c1C)C(=O)Nc1ccccc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CCc2c1C)C(=O)Nc1ccccc1
CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1CC)C(=O)Nc1ccccc1 |r|
CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C(C)C)C(=O)Nc1ccccc1 |r|
CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1CCC)C(=O)Nc1ccccc1 |r|
CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C(C)(C)C)C(=O)Nc1ccccc1 |r|
CCCC[C@H](NC(=O)c1[nH]c2CC3(CCCCC3)CC(=O)c2c1C)C(=O)Nc1ccccc1 |r|
CCCC[C@H](NC(=O)c1[nH]c2CC3(CCOCC3)CC(=O)c2c1C)C(=O)Nc1ccccc1 |r|
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1OC
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1cccc(OC)c1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(OC)cc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1Cl
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1cccc(Cl)c1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(Cl)cc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1C#N
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1cccc(c1)C#N
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(cc1)C#N
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(C)cc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(F)cc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(cc1)S(C)(=O)=O
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(cc1)C(O)=O
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccc(cc1)C(N)=O
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccn1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1cccnc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccncc1
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)N(C)c1ccccc1
CCCCNC(=O)C(CCCC)NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C
CCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NC1CCCCC1
CCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1
CCCCCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCCN)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCCCN)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(COC1CC1)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCC1(C)CC1)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCC1CCC1)C(=O)Nc1ccccc1
CC(C)CCC(NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCc1ccccc1)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CC1CC1)C(=O)Nc1ccccc1
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@H](CCC1CC1)C(=O)Nc1ccc(C)nc1 |r|
Cc1c2c([nH]c1C(=O)N[C@@H](CCC3CC3)C(=O)Nc4ccc(cc4)C#N)CC(CC2=O)(C)C
CCc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@@H](CCC1CC1)C(=O)Nc1ccc(cc1)C#N |r|
CC(C)c1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@@H](CCC1CC1)C(=O)Nc1ccc(cc1)C#N |r|
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)N[C@H](CCC1CC1)C(=O)Nc1ccccc1 |r|
Cc1c([nH]c2CC(C)(C)CC(=O)c12)C(=O)NC(CCC1CC1)C(=O)Nc1ccc(cc1)C#N
CN(C)CCCNc1nc(NC2CCN(Cc3ccccc3)CC2)c2ccccc2n1
COc1cc2nc(nc(NCc3c(C)cc(C)[nH]c3=O)c2cc1OC)N1CCCN(C)CC1
COc1cc2c(NCc3c(C)cc(C)[nH]c3=O)nc(nc2cc1OCCCN1CCCC1)N1CCC(F)(F)CC1
CCN(C1CCOCC1)c1cc(CNC(=O)C=C)cc(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c1C
CNc1nc2cc(OCCCN3CCCC3)c(OC)cc2n1C(C)C
CCC(=O)NCc1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)C=C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)C(C)=C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)\C=C\C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)\C=C\CN(C)C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)C#CC)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)CCl)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)CC#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(CNC(=O)C3(CC3)C#N)nc2cc1OCCCN1CCCC1
CCC(=O)NCc1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)C=C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)C(C)=C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)\C=C\C)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)C#CC)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)cc(CNC(=O)CCl)nc2cc1OCCCN1CCCC1
CCC(=O)N(C)c1nc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
CCCN1CCC(CC1)Nc1nc(nc2cc(OCCCN3CCCC3)c(OC)cc12)N(C)C(=O)C=C
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
COc1cc2c(NC3CCN(CC3)C3CCCCC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
COc1cc2c(NCC3CCN(C)CC3)nc(nc2cc1OCCCN1CCCC1)N(C)C(=O)C=C
Oc1ccc2c(ccc(NC(=O)c3cc(C=O)n4CCCCc34)c2c1)C#N
Cc1oc2ncn(CCCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
CN(C)CCn1cnc2oc(C)c(C(=O)Nc3ccc(nc3)S(N)(=O)=O)c2c1=O
Cc1oc2ncn(CCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
Cc1oc2ncn(CCN3CCCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
Cc1oc2ncn(CCCN3CCCC3)c(=O)c2c1C(=O)Nc1ccc(nc1)S(N)(=O)=O
CC1=NC(=O)c2cc(ccc2N1)CN(C)c3ccc(s3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
O=C1c2ccccc2-c2onc3c(cc(Nc4ccc(CN5CCCC5)cc4)c1c23)C1CCNCC1
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1OCc1ccccc1)N1CCCN(C)CC1
Cc1cc(nc(N)n1)N1CCN(Cc2cc(CN3CCCC3)cs2)CC1
Cc1cc(CNC(=O)C(N2CCCCC2)c2ccc(F)cc2)cnc1C
CCN1CC(NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](C1)OC |r|
COc1cc2nc(NCCNC(=O)CCCCC(=O)NO)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
Nc1ncnc2c1ncn2CCOc1ccc(Br)cc1
CC(C)N1CCC(CC1)Nc2c3cc(c(cc3nc(n2)NCCN(C)C)OCCCN4Cc5ccccc5C4)OC
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccccc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN(C)C)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN2CCCC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CN2CCC(F)(F)CC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCCCC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCOCC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCC(F)(F)CC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(CCN2CCS(=O)(=O)CC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN)nc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCNC)nc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OCCN(C)C)nc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1ccccc1
CCCCC(NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)NCc1ccc(CN(C)C)cc1
CCCC[C@@H](C(=O)Nc1ccc(cc1)OC2CCN(CC2)C)NC(=O)c3c(c4c([nH]3)CC(CC4=O)(C)C)C
CCCC[C@H](NC(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1
CCCC[C@@H](C(=O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c(c3c([nH]2)CC(CC3=O)(C)C)C
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
CCCN1CCC(Nc2nc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1
COc1cc2c(NC3CCN(C4CC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C4CCCCC4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NCC3CCN(C)CC3)nc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCCCC1
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN(C)C
COc1cc2nc(C#N)nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC
COc1cc2nc(C#N)nc(NC3CCN(C(C)C)CC3)c2cc1OC
COc1cc2c(NC3CCN(C(C)C)CC3)nc(C#N)nc2cc1OCCCN1CCOCC1
COc1cc2c(NC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
CCCN1CCC(Nc2cc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1
COc1cc2c(NC3CCN(C(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C4CC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C4CCCCC4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(Cc4ccccc4)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NCC3CCN(C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C(C)=O)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCN(C(=O)OC(C)(C)C)CC3)cc(C#N)nc2cc1OCCCN1CCCC1
COc1cc2c(NC3CCNCC3)cc(C#N)nc2cc1OCCCN1CCCC1
C=CC(=O)Nc1cccc(-c2nc(NC3CCN(C)CC3)c3cc(OC)c(OC)cc3n2)c1
CN(C)C1CCC(CC1)C1(C)Oc2c(O1)c(C)c(cc2Br)C(=O)NCc1c(C)cc(C)[nH]c1=O |(2.94,-8.67,;1.46,-8.27,;.37,-9.36,;1.06,-6.79,;2.15,-5.7,;1.75,-4.21,;.26,-3.81,;-.83,-4.9,;-.43,-6.39,;-.14,-2.32,;1.4,-2.32,;-1.67,-2.17,;-1.99,-.66,;-.66,.11,;.49,-.92,;-.66,1.66,;.67,2.43,;-2,2.43,;-3.34,1.66,;-3.34,.11,;-4.67,-.66,;-2,3.97,;-3.33,4.74,;-.66,4.74,;-.66,6.28,;.67,7.05,;.67,8.59,;-.66,9.36,;2,9.36,;3.34,8.59,;4.67,9.36,;3.34,7.05,;2,6.28,;2,4.74,)|
CN(C)[C@H]1CC[C@@H](CC1)[C@@]1(C)Oc2c(O1)c(C)c(cc2Cl)C(=O)NCc1c(C)cc(C)[nH]c1=O |r,wU:6.6,wD:9.10,3.2,(5.78,-4.8,;4.69,-5.89,;5.09,-7.38,;3.2,-5.49,;2.8,-4.01,;1.32,-3.61,;.23,-4.7,;.63,-6.18,;2.11,-6.58,;-1.26,-4.3,;-2.03,-5.63,;-2.79,-4.14,;-3.11,-2.63,;-1.78,-1.86,;-.63,-2.89,;-1.78,-.32,;-.44,.45,;-3.11,.45,;-4.45,-.32,;-4.45,-1.86,;-5.78,-2.63,;-3.11,1.99,;-4.45,2.76,;-1.78,2.76,;-1.78,4.3,;-.44,5.07,;-.44,6.61,;-1.78,7.38,;.89,7.38,;2.22,6.61,;3.56,7.38,;2.22,5.07,;.89,4.3,;.89,2.76,)|
N[C@H]1CC[C@H](S(=O)(=O)N2[C@@H]3CC[C@H]2C[C@@H](NC(=O)c2cc(C4CC4)on2)C3)CC1
O=C(NC1CN(Cc2cnn(Cc3ccccc3)c2)C1)c1cn(nn1)C1CC1
c1cc(ccc1Cn2cc(cn2)CN3CC(C3)NC(=O)c4cn(nn4)C5CC5)Cl
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC1)C(C)C