1598 SMILES Strings for Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Compound Name
SMILES String
Brc1cc2nc(-c3ccco3)c(nc2cc1-c1cc2ccccc2o1)-c1ccco1
Brc1cc2nc(-c3ccco3)c(nc2cc1-c1cc2ccccc2s1)-c1ccco1
Brc1cc2nc(-c3ccco3)c(nc2cc1-c1ccccc1)-c1ccco1
Brc1cc2nc(-c3ccco3)c(nc2cc1-c1ccncc1)-c1ccco1
Brc1cc2nc(-c3ccco3)c(nc2cc1-c1cncnc1)-c1ccco1
Brc1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Brc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Brc1cccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)c1
Brc1cccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)c1
Brc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cc2ccccc2[nH]1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2cc[nH]c2c1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2ncccc2c1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc2[nH]ccc12)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc2cc[nH]c12)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccnc1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccncc1)N1CCOCC1)c1ccccc1
C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1cnc2ccccc2c1)N1CCOCC1)c1ccccc1
C1CC(CCN1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1
C1CN(CCO1)c1nc(N2CCOCC2)c2cc[nH]c2n1
C1CN(CCO1)c1nc(N2CCOCC2)c2nc[nH]c2n1
C1CN(CCO1)c1nc(N2CCOCC2)c2sccc2n1
C1CN(CCO1)c1nc(nc2ccsc12)-c1ccc2cn[nH]c2c1
C1CN(CCO1)c1nc(nc2ccsc12)-c1cccc2[nH]ncc12
C1CN(CCO1)c1nc2ccccc2nc1N1CCOCC1
C1CN2C(CO1)COc1c2nc(nc1-c1cccc2[nH]ccc12)-c1cccc2[nH]ccc12
C=CC(=O)Nc1ccc(cc1)-n1c2c(ccc1=O)oc1ccc(cc21)-c1cccnc1
CC#Cc1cccc2cc([C@H](C)Nc3ncnc(N)c3-c3nc(C)no3)n(-c3ccccc3)c(=O)c12 |r|
CC#Cc1cccc2nc([C@H](C)Nc3ncnc(N)c3-c3nc(C)no3)n(-c3ccccc3)c(=O)c12 |r|
CC#Cc1cccc2nc([C@H](C)Nc3ncnc(N)c3-c3nnc(C)o3)n(-c3ccccc3)c(=O)c12 |r|
CC(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(=O)N1CCC(CC1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:19:23:28.29:26|
CC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
CC(=O)N1CCC(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:16:20:25.26:23|
CC(=O)N1CCC(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:15:19:24.25:22|
CC(=O)N1CCCC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(=O)N1CCC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CCC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CC(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
CC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CC[C@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
CC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
CC(=O)N1C[C@@H](C(F)F)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@@H](C(F)F)[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@@H](F)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@@H](F)[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@H](C(F)F)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@H](C(F)F)[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@H](F)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N1C[C@H](F)[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N[C@@H]1CC[C@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N[C@H]1C(C)(C)[C@@H](N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)C1(C)C |r,wU:8.8,4.3,(5.34,-7.96,;4.95,-6.47,;6.04,-5.38,;3.46,-6.07,;3.06,-4.58,;1.73,-3.81,;.39,-3.04,;.96,-5.15,;2.5,-2.48,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,;3.83,-3.25,;4.6,-1.91,;5.16,-4.02,)|
CC(=O)N[C@H]1C(C)(C)[C@H](N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)C1(C)C |r,wU:8.8,wD:4.3,(5.34,-7.96,;4.95,-6.47,;6.04,-5.38,;3.46,-6.07,;3.06,-4.58,;3.83,-3.25,;4.6,-1.91,;5.16,-4.02,;2.5,-2.48,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,;1.73,-3.81,;.96,-5.15,;.39,-3.04,)|
CC(=O)N[C@H]1CC[C@@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(=O)N[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:6.8,wD:4.3,(5.34,-7.96,;4.95,-6.47,;6.04,-5.38,;3.46,-6.07,;3.06,-4.58,;3.83,-3.25,;2.5,-2.48,;1.73,-3.81,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,)|
CC(=O)N[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:6.8,4.3,(6.04,-5.38,;4.95,-6.47,;5.34,-7.96,;3.46,-6.07,;3.06,-4.58,;1.73,-3.81,;2.5,-2.48,;3.83,-3.25,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,)|
CC(=O)Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
CC(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CC(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
CC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
CC(=O)Nc1ccc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
CC(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
CC(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
CC(=O)Nc1nc(C)c(s1)-c1cc2CNC(=O)c2c(C)c1
CC(=O)c1cc2nc(nc(N3CCOCC3)c2s1)N1CCOCC1
CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
CC(C)(C#N)c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CC(C)(C)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:14:18:23.24:21|
CC(C)(C)C(=O)CN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:10:22:27.28:25|
CC(C)(C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)(C)NC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)(C)NC(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)(C)OC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)(C)OC(=O)N1CC[C@@](C)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CC(C)(C)OC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CC(C)(C)OC(=O)n1cccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
CC(C)(CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)c1ccncc1 |TLB:11:15:20.21:18|
CC(C)(N)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)(O)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)(O)CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:13:17:22.23:20|
CC(C)(O)c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CC(C)(O)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12 |r|
CC(C)(O)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(=O)(=O)c1ccccc1
CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(C)(=O)=O
CC(C)(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1F)S(C)(=O)=O
CC(C)(c1nc(nc2N3CCOCC3COc12)-c1c(F)ccc2[nH]ccc12)S(C)(=O)=O
CC(C)(c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12)S(=O)(=O)C1CC1
CC(C)(c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12)S(C)(=O)=O
CC(C)(c1nc(nc2N3CCOCC3COc12)-c1ccnc2[nH]ccc12)S(C)(=O)=O
CC(C)(c1nc(nc2N3CCOC[C@@H]3CCOc12)-c1cccc2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@@H]3COc12)-c1c(F)ccc2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@@H]3COc12)-c1cccc2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@@H]3COc12)-c1cccc2[nH]ncc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3CCOc12)-c1cccc2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(cc2[nH]ccc12)C(F)(F)F)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1ccc(F)c2[nH]ccc12)S(C)(=O)=O |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12)S(=O)(=O)C1CC1 |r|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(N)Nc2ccccc12)S(C)(=O)=O |r,c:20|
CC(C)(c1nc(nc2N3CCOC[C@H]3COc12)[N]1=C(Nc2ccccc12)N1CCOCC1)S(C)(=O)=O |r,t:20|
CC(C)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:13:17:22.23:20|
CC(C)C(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)C(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CC(C)C(=O)Nc1cn2nc(ccc2n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
CC(C)C(c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F)S(C)(=O)=O
CC(C)CN(C)Cc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
CC(C)N1CCC(Cc2cccc(c2)-c2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)CC1 |r|
CC(C)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
CC(C)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
CC(C)Nc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CC(C)OC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CC(C)Oc1ccc(cc1F)-c1nn([C@@H](C)c2oc3ccc(F)cc3c(=O)c2-c2cccc(F)c2)c2ncnc(N)c12 |r|
CC(C)S(=O)(=O)C(C)(C)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CC(C)S(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CC(C)S(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)S(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CC(C)S(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)[C@@H](O)C(=O)N(C)[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r,wU:34.39,9.8,3.3,wD:11.13,(7.03,-5.88,;6.26,-7.21,;7.03,-8.55,;4.72,-7.21,;3.95,-8.55,;3.95,-5.88,;5.04,-4.79,;2.46,-5.48,;1.37,-6.57,;2.06,-3.99,;.73,-3.22,;1.5,-1.89,;2.83,-2.66,;1.1,-.4,;2.01,.85,;1.1,2.09,;-.36,1.62,;-.36,.08,;-1.7,-.69,;-3.03,.08,;-3.03,1.62,;-1.7,2.39,;-1.7,3.93,;-.36,4.7,;-.36,6.24,;-1.7,7.01,;-1.7,8.55,;-3.03,6.24,;-3.03,4.7,;-4.36,-.69,;-5.7,.08,;-7.03,-.69,;-7.03,-2.23,;-5.7,-3,;-4.36,-2.23,;-3.03,-3,)|
CC(C)[C@@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC(C)[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC(C)[C@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC(C)c1cc(ccc1C(O)=O)-c1c(N)nn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)C(F)(F)F |r|
CC(C)c1cc(ccc1C(O)=O)-c1cnn2ccc(nc12)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(c1)C(F)(F)F |r|
CC(C)c1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC(C)n1c(C)nc2c(nc(nc12)N1CCOCC1)-c1cnc(N)nc1
CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
CC(Nc1ccccc1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1
CC(O)C#Cc1cccc2nc([C@H](C)Nc3ncnc(N)c3-c3nc(C)no3)n(-c3ccccc3)c(=O)c12 |r|
CC(O)c1cc2nc(nc(N3CCOCC3)c2s1)N1C[C@H](C)O[C@H](C)C1 |r|
CC1(C)Cc2nc3c(nc(cn3c2C(=O)C1)-c1cnc(N)nc1)N1CCOCC1
CC1(CCCS1(=O)=O)c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CC1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CC1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cccnc1)C(F)(F)F |TLB:6:10:15.16:13|
CC1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(N)cc1)C(F)(F)F |TLB:6:10:15.16:13|
CC1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1cccnc1)C(F)(F)F |TLB:6:10:15.16:13|
CCC(=O)N1CC(C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCC(=O)N1CCC(CC1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C
CCC(=O)N1CCC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
CCC(=O)N1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)N1CC[C@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCC(=O)Nc1cn2nc(ccc2n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
CCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CCC(O)(CC)CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:15:19:24.25:22|
CCC(O)(CC)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:14:18:23.24:21|
CCC(O)c1cc2nc(nc(N3CCOCC3)c2s1)N1C[C@H](C)O[C@H](C)C1 |r|
CCCCCCCCCCCCCCCC(=O)C[C@H](COP(O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@@H]1O)C(=O)CCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1O)n1ccnc1
CCCCCCCCCCCCCCCCCCOC[C@H](COC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)[C@H]1O)OC
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@@H]1O)OC
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@@H]1[C@H](O)C[C@@H](O)[C@H](O)[C@@H]1O)n1ccnc1
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)[C@H]1O)OC
CCCCCCCCCCCCCCCCCCOC[C@H](COP(O)(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)[C@H]1O)n1ccnc1
CCCCN(C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:6.5,t:13|
CCCCS(=O)(=O)Nc1cc(cnc1OC)-c1ccc2ncnc(NCCN(C)C)c2c1
CCCN1CC[C@@H](C1)Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C |r|
CCCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CCC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(c2c(=O)n1-c1ccccc1)C(F)(F)F |r|
CCCc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:5.4,t:12|
CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@H](O)C[C@]4(C)[C@@H](O)CCC34)[C@@]2(C)[C@@H](COC)OC1=O |r,w:5.4,t:12|
CCN(CC)CCN(C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:9.8,t:16|
CCN(CC)CCN(CC)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:10.9,t:17|
CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1
CCN(CC)CCS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1
CCN(CCCN(C)C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:9.8,t:16|
CCN(CCN(C)C)C=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:8.7,t:15|
CCN1CCN(CC1)C(=O)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1
CCN1CCN(CC1)c1cc(F)c(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(F)c1
CCN1CCN(CC1)c1ccc(NC(=O)N2CCc3c2nc(nc3-c2cnc(N)nc2)N2CCOCC2)c(C)c1
CCNC(=O)Nc1ccc(CCN2C(CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)cc1 |TLB:19:23:28.29:26|
CCNC(=O)Nc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2C[C@@H]3C[C@H]2CO3)cc1 |TLB:15:27:32.33:30|
CCNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
CCNC=C1C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]2(C)[C@@H](COC)OC1=O |r,w:3.2,t:10|
CCNc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
CCNc1cnc2ccc(cc2c1OC)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
CCNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CCOC(=O)C1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
CCOC(=O)N1CCC(CC1)(c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12)S(C)(=O)=O |r|
CCOC(=O)N1CCC(CC1)C(=O)CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:21:25:30.31:28|
CCOC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CCOC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
CCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
CCOC(=O)Nc1ccc(cn1)C(=O)CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:22:26:31.32:29|
CCOC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CCOC(=O)c1cnc2ccc(cn12)-c1cncc(NS(=O)(=O)c2ccccc2)c1
CCOc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:19:23:28.29:26|
CCS(=O)(=O)C(C)(C)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CCS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CCS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CCS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1
CCS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CCS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CCS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CCS(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CC[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
CC[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
CC[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
CC[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CCO)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(C#CC)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1cccc(F)c1 |r|
CC[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccc(O)cc1 |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N(C)C |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1CCOCC1 |r|
CC[C@H](Nc1ncnc2n(C)c(nc12)-c1cnn(CC)c1C)C(=O)N1C[C@H](C)O[C@H](C)C1 |r|
CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
CC[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1 |r|
CC[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
CCc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
CCc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
CCc1cncc(C)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-5.38,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
CCc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(CC)c2)n(C)c1=O |(6.3,-1.41,;4.81,-1.8,;3.72,-.71,;4.12,.77,;3.03,1.86,;1.54,1.46,;1.14,-.02,;-.34,-.42,;2.23,-1.11,;1.84,-2.6,;.37,-3.08,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,;-2.3,0,;-.96,-.77,;-.96,-2.31,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-3.07,3.91,;-3.84,5.25,;-3.07,6.58,;-3.54,2.45,;1.84,-5.09,;2.23,-6.58,;2.74,-3.85,;4.28,-3.85,)|
CCc1nnc(o1)-c1cnc2ccc(cn12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1
CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1
CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)nc1)N1CCOCC1
CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1
CCn1cc(cn1)-c1cc2c3n(-c4c(C)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|
CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;4.47,-.71,;5.55,-1.8,;4.86,.77,;3.77,1.86,;2.29,1.46,;1.89,-.02,;.4,-.42,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|
CCn1cc(cn1)-c1cc2c3n(-c4c(F)cncc4OC)c(=O)n(C)c3cnc2cc1OC |(-3.07,6.58,;-3.84,5.25,;-3.07,3.91,;-3.54,2.45,;-2.3,1.54,;-1.05,2.45,;-1.53,3.91,;-2.3,0,;-.96,-.77,;-.96,-2.31,;.37,-3.08,;1.84,-2.6,;2.23,-1.11,;1.14,-.02,;-.34,-.42,;1.54,1.46,;3.03,1.86,;4.12,.77,;3.72,-.71,;4.81,-1.8,;6.3,-1.41,;2.74,-3.85,;4.28,-3.85,;1.84,-5.09,;2.23,-6.58,;.37,-4.62,;-.96,-5.39,;-2.3,-4.62,;-2.3,-3.08,;-3.63,-2.31,;-3.63,-.77,;-4.96,0,;-6.3,-.77,)|
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4)c(=O)n(C)c3cnc2cc1OC
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4C)c(=O)n(C)c3cnc2cc1OC |(-4.63,5.91,;-3.09,5.91,;-2.32,4.58,;-2.8,3.12,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-1.55,.67,;-.22,-.1,;-.22,-1.64,;1.11,-2.41,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;3.48,-3.18,;5.02,-3.18,;2.58,-4.43,;2.98,-5.91,;1.11,-3.95,;-.22,-4.72,;-1.55,-3.95,;-1.55,-2.41,;-2.89,-1.64,;-2.89,-.1,;-4.22,.67,;-5.55,-.1,)|
CCn1cc(cn1)-c1cc2c3n(-c4ccncc4F)c(=O)n(C)c3cnc2cc1OC |(-2.32,6.58,;-3.09,5.25,;-2.32,3.91,;-2.8,2.45,;-1.55,1.54,;-.31,2.45,;-.78,3.91,;-1.55,0,;-.22,-.77,;-.22,-2.31,;1.11,-3.08,;2.58,-2.6,;2.98,-1.11,;1.89,-.02,;2.29,1.46,;3.77,1.86,;4.86,.77,;4.47,-.71,;5.55,-1.8,;3.48,-3.85,;5.02,-3.85,;2.58,-5.09,;2.98,-6.58,;1.11,-4.62,;-.22,-5.39,;-1.55,-4.62,;-1.55,-3.08,;-2.89,-2.31,;-2.89,-.77,;-4.22,0,;-5.55,-.77,)|
CCn1cc(cn1)-c1cc2c3n(-c4cn(C)nc4C)c(=O)n(C)c3cnc2cc1OC |(-2.43,6.58,;-3.2,5.25,;-2.43,3.91,;-2.91,2.45,;-1.66,1.54,;-.42,2.45,;-.89,3.91,;-1.66,0,;-.33,-.77,;-.33,-2.31,;1,-3.08,;2.47,-2.6,;2.87,-1.11,;4.33,-.64,;4.33,.9,;5.66,1.67,;2.87,1.38,;1.96,.13,;.42,.13,;3.37,-3.85,;4.91,-3.85,;2.47,-5.09,;2.87,-6.58,;1,-4.62,;-.33,-5.39,;-1.66,-4.62,;-1.66,-3.08,;-3,-2.31,;-3,-.77,;-4.33,0,;-5.66,-.77,)|
CCn1cc(cn1)-c1cc2c3n(-c4ncccc4F)c(=O)n(C)c3cnc2cc1OC |(-4.37,5.91,;-2.83,5.91,;-2.06,4.58,;-2.53,3.12,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-1.29,.67,;.05,-.1,;.05,-1.64,;1.38,-2.41,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;3.75,-3.18,;5.29,-3.18,;2.84,-4.43,;3.24,-5.91,;1.38,-3.95,;.05,-4.72,;-1.29,-3.95,;-1.29,-2.41,;-2.62,-1.64,;-2.62,-.1,;-3.96,.67,;-5.29,-.1,)|
CCn1ncc(c1C)-c1nc2c(CC3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(NC3CCN(CC(C)C)C3=O)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(NC3CN(C3)C(=O)C3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(NC3CN(CC(C)C)C(=O)C3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(N[C@@H](C)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H](C)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(N[C@H]3CC[C@H](C3)C(=O)N3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(O[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(Oc3csc(c3)C(=O)N3CCOCC3)ncnc2n1C
CCn1ncc(c1C)-c1nc2c(S[C@H]3CCN(C3)C(=O)C3CCOCC3)ncnc2n1C |r|
CCn1ncc(c1C)-c1nc2c(ncnc2n1C)N1CCC(CC1)n1c2cccnc2[nH]c1=O
CN(C(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)c1ccccc1
CN(C)C(=O)C1CCC(CC1)Oc1nc(nc(n1)-c1ccc(N)nc1)N1CCOCC1 |(-7.33,-1.93,;-7.33,-.39,;-8.66,.38,;-6,.38,;-6,1.92,;-4.66,-.39,;-4.66,-1.93,;-3.33,-2.7,;-2,-1.93,;-2,-.39,;-3.34,.38,;-.66,-2.7,;.67,-1.93,;.67,-.38,;2,.38,;3.33,-.38,;3.33,-1.93,;2.01,-2.69,;4.67,-2.69,;6,-1.93,;7.33,-2.69,;7.33,-4.23,;8.66,-5,;6,-5,;4.67,-4.24,;2,1.92,;.67,2.69,;.67,4.23,;2,5,;3.34,4.23,;3.34,2.69,)|
CN(C)C(=O)COc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:16:28:31.32:35|
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccc(N)nc2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccc(N)nc2)N2CCOCC2)cc1C
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccc(N)nc2C)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc(O)c2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ccc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]ncc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cccc3[nH]nnc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2ccnc3[nH]ccc23)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)[nH]2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)c(C)c2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)cc2C(F)(F)F)N2CCOCC2)c(F)c1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)cc2C)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)nc2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc(N)s2)N2CCOCC2)cc1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2cnc3[nH]ccc3c2)N2CCOCC2)c(F)c1
CN(C)C(=O)c1ccc(Oc2nc(nc(n2)-c2sc(N)nc2C)N2CCOCC2)cc1
CN(C)CC(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CN(C)CC(=O)Nc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)CC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)CCC(=O)Nc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)CCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
CN(C)CCCOc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:16:28:31.32:35|
CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
CN(C)CCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)CCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
CN(C)CCNc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)CCOc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)cc1 |TLB:19:23:28.29:26|
CN(C)CCOc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:15:27:30.31:34|
CN(C)CCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
CN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
CN(C)S(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CN(C)S(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CN(C)S(=O)(=O)[C@H]1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CN(C)S(=O)(=O)n1cc(cn1)-c1nc(cnc1N)-c1nc(n(C)n1)C1(CC1)c1ccccc1
CN(C)c1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
CN(C)c1ccc(cc1)C(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)occc3=O)c1
CN(C)c1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:19:23:28.29:26|
CN(C)c1ccc(cn1)C(=O)CN1c2nc(cc(=O)n2C[C@@]1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:15:27:32.33:30|
CN(C)c1ccc2c(CC(=O)O[C@@H]3CC(=O)c4coc5c4[C@@]3(C)c3ccc4C(=O)CCc4c3C5=O)cc(=O)oc2c1
CN(C)c1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CN(C1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)C(C)=O |(2.37,-7.16,;3.46,-6.07,;3.06,-4.58,;1.73,-3.81,;2.5,-2.48,;3.83,-3.25,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,;4.95,-6.47,;5.34,-7.96,;6.04,-5.38,)|
CN(CC(=O)O[C@@H]1CC(=O)c2coc3c2[C@@]1(C)c1ccc2C(=O)CCc2c1C3=O)c1ccc([N+]([O-])=O)c2n[o+][n-]c12
CN(CCO)c1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:21:25:30.31:28|
CN(Cc1nc2c(nc(Cl)nc2n1C)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(C)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(Cl)c(c1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)S(C)(=O)=O)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccc2OCOc2c1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cccc(O)c1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cccnc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1ccncc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cnc2ccccc2c1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C)-c1cncnc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO
CN([C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)C(C)=O |r,wU:4.6,wD:2.1,(2.37,-7.16,;3.46,-6.07,;3.06,-4.58,;3.83,-3.25,;2.5,-2.48,;1.73,-3.81,;2.1,-.99,;3,.26,;2.1,1.5,;.63,1.03,;.63,-.51,;-.7,-1.28,;-2.03,-.51,;-2.03,1.03,;-.7,1.8,;-.7,3.34,;.63,4.11,;.63,5.65,;-.7,6.42,;-.7,7.96,;-2.03,5.65,;-2.03,4.11,;-3.37,-1.28,;-4.7,-.51,;-6.04,-1.28,;-6.04,-2.82,;-4.7,-3.59,;-3.37,-2.82,;4.95,-6.47,;6.04,-5.38,;5.34,-7.96,)|
CN([C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O |r,wU:4.6,wD:2.1,(2.17,-7.16,;3.26,-6.07,;2.86,-4.58,;3.63,-3.25,;2.3,-2.48,;1.53,-3.81,;1.9,-.99,;2.8,.26,;1.9,1.5,;.43,1.03,;.43,-.51,;-.9,-1.28,;-2.23,-.51,;-2.23,1.03,;-.9,1.8,;-.9,3.34,;.43,4.11,;.43,5.65,;-.9,6.42,;-.9,7.96,;-2.23,5.65,;-2.23,4.11,;-3.57,-1.28,;-4.9,-.51,;-6.23,-1.28,;-6.23,-2.82,;-4.9,-3.59,;-3.57,-2.82,;4.75,-6.47,;6.23,-6.87,;4.35,-7.96,;5.15,-4.98,)|
CN([C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)S(C)(=O)=O |r,wU:4.6,2.1,(2.17,-7.16,;3.26,-6.07,;2.86,-4.58,;1.53,-3.81,;2.3,-2.48,;3.63,-3.25,;1.9,-.99,;2.8,.26,;1.9,1.5,;.43,1.03,;.43,-.51,;-.9,-1.28,;-2.23,-.51,;-2.23,1.03,;-.9,1.8,;-.9,3.34,;.43,4.11,;.43,5.65,;-.9,6.42,;-.9,7.96,;-2.23,5.65,;-2.23,4.11,;-3.57,-1.28,;-4.9,-.51,;-6.23,-1.28,;-6.23,-2.82,;-4.9,-3.59,;-3.57,-2.82,;4.75,-6.47,;6.23,-6.87,;5.15,-4.98,;4.35,-7.96,)|
CN1CCC(CC1)(c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12)S(C)(=O)=O
CN1CCC(CC1)NC(=O)c1ccc(cc1)-c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1
CN1CCN(CC1)C1(CC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12
CN1CCN(CC1)c1cnc2c(nc(cn12)-c1cccc(O)c1)N1CCOCC1
CN1CCN(CC1)c1nc(N2CCOCC2)c2sc(CO)cc2n1
CN1CCN(CCc2nnc(o2)-c2cnc3ccc(cn23)-c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)CC1
CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
CN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CN1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
CNC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(C)CC3)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)N(C)C)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)NC)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(C)=O)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
CNC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
CNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
CNC(=O)c1cc2c(nc(nn2c1)-c1cnc(N)cc1C(F)(F)F)N1CCOCC1
CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
CNC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CNC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
CNC(=O)c1cccc(c1)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
CNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
CNC(=O)c1nc(cnc1N)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
CNC1CCN(CC1)C(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1
CNCCS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1
CNCc1ccc(cc1)-c1cc(on1)-c1nc(cnc1N)-c1ccc(cc1)S(=O)(=O)C(C)C
CNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
CNS(=O)(=O)C1CCN(C1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1
CNS(=O)(=O)C1CCN(CC1)c1nc(nc(n1)-n1c(nc2c(OC)cccc12)C(F)F)N1CCOCC1
CNS(=O)(=O)N(C)[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:9.11,wD:7.6,(6.43,-8.15,;6.04,-6.67,;4.55,-6.27,;4.95,-4.78,;4.15,-7.76,;3.06,-5.87,;1.97,-6.96,;2.66,-4.38,;3.43,-3.05,;2.1,-2.28,;1.33,-3.61,;1.7,-.79,;2.6,.45,;1.7,1.7,;.23,1.22,;.23,-.32,;-1.1,-1.09,;-2.43,-.32,;-2.43,1.22,;-1.1,1.99,;-1.1,3.53,;.23,4.3,;.23,5.84,;-1.1,6.61,;-1.1,8.15,;-2.43,5.84,;-2.43,4.3,;-3.77,-1.09,;-5.1,-.32,;-6.43,-1.09,;-6.43,-2.63,;-5.1,-3.4,;-3.77,-2.63,)|
CNS(=O)(=O)N(C)[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:9.11,7.6,(5.44,-8.5,;4.35,-7.41,;4.75,-5.92,;6.23,-6.32,;5.15,-4.44,;3.26,-5.52,;2.17,-6.61,;2.86,-4.04,;1.53,-3.27,;2.3,-1.93,;3.63,-2.7,;1.9,-.45,;2.8,.8,;1.9,2.05,;.43,1.57,;.43,.03,;-.9,-.74,;-2.23,.03,;-2.23,1.57,;-.9,2.34,;-.9,3.88,;.43,4.65,;.43,6.19,;-.9,6.96,;-.9,8.5,;-2.23,6.19,;-2.23,4.65,;-3.57,-.74,;-4.9,.03,;-6.23,-.74,;-6.23,-2.28,;-4.9,-3.05,;-3.57,-2.28,)|
CNS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CNS(=O)(=O)N1CCC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CCC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CNS(=O)(=O)N1C[C@@H](O)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CNS(=O)(=O)N1C[C@@H](OC)[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
CNS(=O)(=O)O[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:6.5,wD:8.10,(6.07,-6.82,;4.73,-7.59,;3.4,-6.82,;4.17,-5.49,;2.63,-8.15,;2.07,-6.05,;2.07,-4.51,;.98,-3.42,;2.07,-2.33,;3.15,-3.42,;2.07,-.79,;2.97,.45,;2.07,1.7,;.6,1.22,;.6,-.32,;-.73,-1.09,;-2.07,-.32,;-2.07,1.22,;-.73,1.99,;-.73,3.53,;.6,4.3,;.6,5.84,;-.73,6.61,;-.73,8.15,;-2.07,5.84,;-2.07,4.3,;-3.4,-1.09,;-4.73,-.32,;-6.07,-1.09,;-6.07,-2.63,;-4.73,-3.4,;-3.4,-2.63,)|
CNS(=O)(=O)O[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wD:8.10,6.5,(6.07,-6.82,;4.73,-7.59,;3.4,-6.82,;4.17,-5.49,;2.63,-8.15,;2.07,-6.05,;2.07,-4.51,;3.15,-3.42,;2.07,-2.33,;.98,-3.42,;2.07,-.79,;2.97,.45,;2.07,1.7,;.6,1.22,;.6,-.32,;-.73,-1.09,;-2.07,-.32,;-2.07,1.22,;-.73,1.99,;-.73,3.53,;.6,4.3,;.6,5.84,;-.73,6.61,;-.73,8.15,;-2.07,5.84,;-2.07,4.3,;-3.4,-1.09,;-4.73,-.32,;-6.07,-1.09,;-6.07,-2.63,;-4.73,-3.4,;-3.4,-2.63,)|
CNS(=O)(=O)[C@H]1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(NC(C)=O)cc2n1 |r|
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
CNc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
CNc1ccc(cn1)C(=O)CN1c2nc(cc(=O)n2C[C@@]1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:14:26:31.32:29|
CNc1nc2cc(Cl)ccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2cc(Cl)ccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
CNc1nc2cc(Cl)ccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
CNc1nc2cc(F)ccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2cc(F)ccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
CNc1nc2ccc(Cl)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
CNc1nc2ccc(F)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2ccc(F)cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
CNc1nc2ccc(cc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O)C#N |r|
CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C(C)(C)S(C)(=O)=O |@:14,@@:26|
CNc1nc2ccccc2n1-c1nc2N3CCOCC3CCOc2c(n1)C1(CCOCC1)S(C)(=O)=O |@:14|
CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)O
CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C(C)(C)S(C)(=O)=O
CNc1nc2ccccc2n1-c1nc2N3CCOCC3COc2c(n1)C1(CCOCC1)S(C)(=O)=O
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3CCOc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
CNc1nc2ccccc2n1-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
CNc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
CNc1ncc(cn1)-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)cn2c1Cl
CNc1nccc(-c2cc(-c3nnc[nH]3)c3nc(C)n(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F |(6.07,-3.93,;6.47,-2.44,;5.38,-1.35,;5.78,.13,;4.69,1.22,;3.2,.82,;2.8,-.66,;1.32,-1.06,;.84,-2.53,;-.67,-2.85,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,;-1.7,-1.7,;-3.24,-1.7,;-3.71,-.24,;-5.25,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;-1.22,-.24,;.28,.08,;3.89,-1.75,;3.49,-3.24,)|
COC(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NC2CC2)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)NCCF)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(cc2)N2CCN(C)CC2)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2cccnc2)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccncc2)cc1)N1CCOCC1
COC(=O)N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc(NC(=O)OCCO)cc1)N1CCOCC1
COC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
COC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
COC(=O)N1CC[C@@](C)(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
COC(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
COC(=O)N1CC[C@@](CO)(C1)Nc1nc(nc(c1F)-c1cnc(N)nc1)N1CCOCC1 |r|
COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)OC)c2n1
COC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
COC(=O)Nc1ccc(cn1)C(=O)CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:21:25:30.31:28|
COC(=O)c1ccccc1-n1cc(CNC(=O)c2cnc3ccc(cn23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1
COCC(=O)Nc1cn2nc(ccc2n1)-c1cc2CN([C@@H](C)C3CC3)C(=O)c2c(C)c1 |r|
COCC1OC(=O)c2coc3c2C1(C)C1=C(C2CCC(=O)C2(C)CC1OC(=O)CN(C)c1ccc([N+]([O-])=O)c2n[o+][n-]c12)C3=O |t:16|
COCC1OC(=O)c2coc3c2C1(C)C1=C(C2CCC(OC(=O)CN(C)c4ccc([N+]([O-])=O)c5n[o+][n-]c45)C2(C)CC1OC(C)=O)C3=O |t:16|
COCCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
COCCN(C)Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
COCCN1CCO[C@@H](COc2cc(cc3COCc23)-c2cnc(OC)c(NS(C)(=O)=O)c2)C1 |r|
COCCNC(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
COCCNC(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
COCCNC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
COCCNCc1cccc(Cc2c(cc3scc(C)n3c2=O)[C@H](C)Nc2ncnc(N)c2C#N)c1 |r|
COCCNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
COCCOC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C |r|
COCCS(=O)(=O)Nc1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1sc(NC(C)=O)nc1C |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H](C)N2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@@H]2CN(CCO2)C2COC2)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H](C)N2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C(C)C)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2CCC2)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r|
COCCS(=O)(=O)Nc1cc(cnc1OC)-c1cc2COCc2c(O[C@H](C)CN2CCC(CC2)C(C)(C)O)c1 |r|
COCCc1nnc(o1)-c1cnc2ccc(cn12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
COC[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
COC[C@H]1OC(=O)C(=CN(C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20|
COC[C@H]1OC(=O)C(=CN(C)CC(=O)OC(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
COC[C@H]1OC(=O)C(=CN(C)CC(O)CO)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CN(C)CCCC(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN(C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN(C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@H](O)C[C@]4(C)[C@@H](O)CCC34)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN(C)CCCN2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
COC[C@H]1OC(=O)C(=CN(C)CCCN2CCN(CC2)c2ccc(OC)cc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:35|
COC[C@H]1OC(=O)C(=CN(C)CCCN2CCOCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:26|
COC[C@H]1OC(=O)C(=CN(C)CCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CN(C)N2CCC(C)C2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:23|
COC[C@H]1OC(=O)C(=CN(CC=C)CC=C)C2C(=O)C(=O)C3=C([C@@H](C[C@@]4(C)C3CCC4=O)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CN(CCC#N)Cc2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
COC[C@H]1OC(=O)C(=CN(CCCN(C)C)CCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
COC[C@H]1OC(=O)C(=CN(CCN(C)C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
COC[C@H]1OC(=O)C(=CN(CCN(C)C)Cc2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
COC[C@H]1OC(=O)C(=CN(CCO)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN(CCO)CCO)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CN2CCC(=O)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN2CCC(CC2)C(=O)OC)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:25|
COC[C@H]1OC(=O)C(=CN2CCC(CC2)C(O)=O)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:24|
COC[C@H]1OC(=O)C(=CN2CCC(CC2)N2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
COC[C@H]1OC(=O)C(=CN2CCC(CC2)c2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
COC[C@H]1OC(=O)C(=CN2CCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20|
COC[C@H]1OC(=O)C(=CN2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CN2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:22|
COC[C@H]1OC(=O)C(=CN2CCN(CC2)C2CCCCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
COC[C@H]1OC(=O)C(=CN2CCN(CC2)C2CCN(C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:29|
COC[C@H]1OC(=O)C(=CN2CCN(CC2)c2ccccc2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:28|
COC[C@H]1OC(=O)C(=CN2CCN(CCCN(C)C)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:27|
COC[C@H]1OC(=O)C(=CN2CCN(CCCN3CCOCC3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:31|
COC[C@H]1OC(=O)C(=CN2CCN(CCN3CCOCC3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:30|
COC[C@H]1OC(=O)C(=CN2CCN(Cc3ccccc3)CC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:29|
COC[C@H]1OC(=O)C(=CN2CCOCC2)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)C(=CNC(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:19|
COC[C@H]1OC(=O)C(=CNCCCN(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:21|
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CCC(=O)[C@@]2(C)C[C@H]1OC(=O)Cc1cc(=O)oc2cc(ccc12)N(C)C)C3=O |t:16|
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CC[C@H](O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |r,t:16|
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CC[C@H](OC(=O)Cc4cc(=O)oc5cc(ccc45)N(C)C)[C@@]2(C)C[C@H]1OC(C)=O)C3=O |t:16|
CON(C)C(=O)CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:14:18:23.24:21|
CONc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
CO[C@@H]1CN(C[C@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C)C(C)=O |r|
CO[C@@H]1CN(C[C@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOC[C@@H]1C)S(C)(=O)=O |r|
CO[C@H]1CC[C@@H](CC1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:5.8,wD:2.1,(3.43,-7.99,;4.52,-6.9,;4.12,-5.42,;5.21,-4.33,;4.81,-2.84,;3.32,-2.44,;2.23,-3.53,;2.63,-5.02,;2.92,-.95,;3.83,.29,;2.92,1.54,;1.46,1.06,;1.46,-.48,;.13,-1.25,;-1.21,-.48,;-1.21,1.06,;.13,1.83,;.13,3.37,;1.46,4.14,;1.46,5.68,;.13,6.45,;.13,7.99,;-1.21,5.68,;-1.21,4.14,;-2.54,-1.25,;-3.88,-.48,;-5.21,-1.25,;-5.21,-2.79,;-3.88,-3.56,;-2.54,-2.79,)|
CO[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:4.6,wD:2.1,(4.61,-7.42,;5.38,-6.08,;4.61,-4.75,;5.01,-3.26,;3.52,-2.86,;3.12,-4.35,;2.75,-1.53,;3.66,-.28,;2.75,.96,;1.29,.49,;1.29,-1.05,;-.05,-1.82,;-1.38,-1.05,;-1.38,.49,;-.05,1.26,;-.05,2.8,;1.29,3.57,;1.29,5.11,;-.05,5.88,;-.05,7.42,;-1.38,5.11,;-1.38,3.57,;-2.71,-1.82,;-4.05,-1.05,;-5.38,-1.82,;-5.38,-3.36,;-4.05,-4.13,;-2.71,-3.36,)|
COc1c(OCC(O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |c:35,t:19|
COc1c(OCC(O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
COc1c(OCCCN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |c:35,t:18|
COc1c(OC[C@@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19|
COc1c(OC[C@@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
COc1c(OC[C@H](O)CN2CCOCC2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:35,t:19|
COc1c(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc12 |r,c:37,t:21|
COc1c(OC[C@H](O)CN[C@@H](C)c2ccccc2)ccc2C3=NCCN3C(NC(=O)c3cnc(N)nc3)=Nc12 |r,c:39,t:22|
COc1cc(-c2nc3N4CCOCC4CCOc3c(n2)C2(CCOCC2)S(C)(=O)=O)c2cc[nH]c2c1 |@:8|
COc1cc(-c2nc3N4CCOCC4COc3c(n2)C2(CCOCC2)S(C)(=O)=O)c2cc[nH]c2c1
COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C(C)(C)O)c2cc[nH]c2c1 |r|
COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C(C)(C)S(C)(=O)=O)c2cc[nH]c2c1 |r|
COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
COc1cc(-c2nc3N4CCOC[C@H]4COc3c(n2)C2(CCOCC2)S(C)(=O)=O)c2cc[nH]c2c1 |r|
COc1cc(F)ccc1[C@H](O)CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F |TLB:19:23:26.27:30|
COc1cc(N)cc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cc(OC)c(\C=C\C(=O)c2c(OC)cc(OC)c(C3CCN(C)CC3)c2O)c(OC)c1
COc1cc(OC)cc(c1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
COc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc(OC)c1OC
COc1cc(cc(OC)c1OC)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
COc1cc(cc2c(C)ncnc12)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c1
COc1cc(ccc1O)-c1c[nH]c2ncnc(N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)c12 |r|
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(C)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;-.14,.24,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;4.47,.62,;5.55,-.47,;4.86,2.11,;3.77,3.2,;2.29,2.8,;1.89,1.31,;.4,.91,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4c(F)cncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;4.47,-.05,;5.55,-1.14,;4.86,1.44,;3.77,2.53,;2.29,2.13,;1.89,.64,;.4,.24,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4c[nH]nc4C)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.71,.03,;4.71,1.57,;3.24,2.05,;2.34,.8,;.8,.8,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccnc(c4)C#N)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C#N)c3c2cc1-c1cnn(C)c1 |(-6.1,-.1,;-4.76,.67,;-3.43,-.1,;-3.43,-1.64,;-2.1,-2.41,;-2.1,-3.95,;-.76,-4.72,;.57,-3.95,;2.03,-4.43,;2.43,-5.91,;2.94,-3.18,;4.48,-3.18,;2.03,-1.93,;2.43,-.45,;1.34,.64,;1.74,2.13,;3.23,2.53,;4.32,1.44,;3.92,-.05,;5.01,-1.14,;6.1,-2.23,;.57,-2.41,;-.76,-1.64,;-.76,-.1,;-2.1,.67,;-2.1,2.21,;-.85,3.12,;-1.33,4.58,;-2.87,4.58,;-3.64,5.91,;-3.34,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4C)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4Cl)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cn[nH]c1 |(-5.55,.57,;-4.22,1.34,;-2.89,.57,;-2.89,-.97,;-1.55,-1.74,;-1.55,-3.28,;-.22,-4.05,;1.11,-3.28,;2.58,-3.76,;2.98,-5.25,;3.48,-2.51,;5.02,-2.51,;2.58,-1.27,;2.98,.22,;1.89,1.31,;2.29,2.8,;3.77,3.2,;4.86,2.11,;4.47,.62,;5.55,-.47,;1.11,-1.74,;-.22,-.97,;-.22,.57,;-1.55,1.34,;-1.55,2.88,;-.31,3.78,;-.78,5.25,;-2.32,5.25,;-2.8,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccncc4F)c3c2cc1-c1cnn(C)c1 |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-.31,3.12,;-.78,4.58,;-2.32,4.58,;-3.09,5.91,;-2.8,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;1.96,1.47,;2.87,2.71,;4.33,2.24,;4.33,.7,;5.66,-.07,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ccnn4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)cn4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn(C)nc1C |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;1.96,.8,;2.87,2.05,;2.47,3.53,;4.33,1.57,;4.33,.03,;5.66,-.74,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-2.91,3.12,;-2.43,4.58,;-3.2,5.91,;-.89,4.58,;-.42,3.12,;1.07,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cn[nH]c1 |(-5.66,.57,;-4.33,1.34,;-3,.57,;-3,-.97,;-1.66,-1.74,;-1.66,-3.28,;-.33,-4.05,;1,-3.28,;2.47,-3.76,;2.87,-5.25,;3.37,-2.51,;4.91,-2.51,;2.47,-1.27,;2.87,.22,;4.33,.7,;4.33,2.24,;5.66,3.01,;2.87,2.71,;1.96,1.47,;.42,1.47,;1,-1.74,;-.33,-.97,;-.33,.57,;-1.66,1.34,;-1.66,2.88,;-.42,3.78,;-.89,5.25,;-2.43,5.25,;-2.91,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn(C)nc4C)c3c2cc1-c1cnn(C)c1 |(-5.66,-.1,;-4.33,.67,;-3,-.1,;-3,-1.64,;-1.66,-2.41,;-1.66,-3.95,;-.33,-4.72,;1,-3.95,;2.47,-4.43,;2.87,-5.91,;3.37,-3.18,;4.91,-3.18,;2.47,-1.93,;2.87,-.45,;4.33,.03,;4.33,1.57,;5.66,2.34,;2.87,2.05,;1.96,.8,;.42,.8,;1,-2.41,;-.33,-1.64,;-.33,-.1,;-1.66,.67,;-1.66,2.21,;-.42,3.12,;-.89,4.58,;-2.43,4.58,;-3.2,5.91,;-2.91,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4cn[nH]c4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cncnc4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cn[nH]c1
COc1cc2ncc3n(C)c(=O)n(-c4cnn(C)c4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cn[nH]c1
COc1cc2ncc3n(C)c(=O)n(-c4cnn(c4)C4CCOCC4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4csc(C)n4)c3c2cc1-c1cn[nH]c1
COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(C)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn(C)nc1C |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-2.53,3.12,;-2.06,4.58,;-2.83,5.91,;-.52,4.58,;-.04,3.12,;1.29,2.35,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;4.44,4.68,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;4.44,4.02,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncc(F)cn4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cc(C)[nH]n1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nc1C |(-5.55,-.1,;-4.22,.67,;-2.89,-.1,;-2.89,-1.64,;-1.55,-2.41,;-1.55,-3.95,;-.22,-4.72,;1.11,-3.95,;2.58,-4.43,;2.98,-5.91,;3.48,-3.18,;5.02,-3.18,;2.58,-1.93,;2.98,-.45,;1.89,.64,;2.29,2.13,;3.77,2.53,;4.86,1.44,;4.47,-.05,;5.55,-1.14,;1.11,-2.41,;-.22,-1.64,;-.22,-.1,;-1.55,.67,;-1.55,2.21,;-2.8,3.12,;-2.32,4.58,;-3.09,5.91,;-.78,4.58,;-.31,3.12,;1.18,2.72,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn(C)nn1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;.25,5.91,;-2.06,4.58,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cn[nH]c1 |(-5.29,.57,;-3.96,1.34,;-2.62,.57,;-2.62,-.97,;-1.29,-1.74,;-1.29,-3.28,;.05,-4.05,;1.38,-3.28,;2.84,-3.76,;3.24,-5.25,;3.75,-2.51,;5.29,-2.51,;2.84,-1.27,;3.24,.22,;4.73,.62,;5.13,2.11,;4.04,3.2,;2.55,2.8,;2.15,1.31,;.67,.91,;1.38,-1.74,;.05,-.97,;.05,.57,;-1.29,1.34,;-1.29,2.88,;-.04,3.78,;-.52,5.25,;-2.06,5.25,;-2.53,3.78,)|
COc1cc2ncc3n(C)c(=O)n(-c4ncccc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1cc2ncc3n(C)c(=O)n(-c4nccs4)c3c2cc1-c1cnn(C)c1
COc1cc2ncc3n(C)c(=O)n(-c4ncncc4F)c3c2cc1-c1cnn(C)c1 |(-5.29,-.1,;-3.96,.67,;-2.62,-.1,;-2.62,-1.64,;-1.29,-2.41,;-1.29,-3.95,;.05,-4.72,;1.38,-3.95,;2.84,-4.43,;3.24,-5.91,;3.75,-3.18,;5.29,-3.18,;2.84,-1.93,;3.24,-.45,;4.73,-.05,;5.13,1.44,;4.04,2.53,;2.55,2.13,;2.15,.64,;.67,.24,;1.38,-2.41,;.05,-1.64,;.05,-.1,;-1.29,.67,;-1.29,2.21,;-.04,3.12,;-.52,4.58,;-2.06,4.58,;-2.83,5.91,;-2.53,3.12,)|
COc1ccc(-c2nc3N4CCOCC4COc3c(n2)C2(CCOCC2)S(C)(=O)=O)c2cc[nH]c12
COc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2CC3CCC(C2)O3)C(F)(F)F)cc1 |TLB:15:19:22.23:26|
COc1ccc(CCN2c3nc(cc(=O)n3CC2(C)C(F)(F)F)N2C[C@@H]3C[C@H]2CO3)cc1 |TLB:11:23:28.29:26|
COc1ccc(CCN2c3nc(cc(=O)n3C[C@@]2(C)C(F)(F)F)N2CC3CCC(C2)O3)cc1 |TLB:11:23:26.27:30|
COc1ccc(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)cc1
COc1ccc(CN2CCc3nc4c(nc(cn4c3C2)-c2cnc(N)nc2)N2CCOCC2)cc1
COc1ccc(CNc2cnc3ccc(cc3c2OC)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)cc1
COc1ccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1ccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1ccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)cc1
COc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
COc1ccc(cc1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1
COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1
COc1ccc(cc1-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1)C(F)(F)F
COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1CCOC[C@@H]1C)N1CCOC[C@@H]1C |r|
COc1ccc(cc1CO)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ccc(cn1)-c1cc(OC2CCOCC2)c2ncnc(C)c2c1
COc1ccc(cn1)-c1cc2nc(nc(N3CCOCC3)c2s1)N1C[C@H](C)O[C@H](C)C1 |r|
COc1ccc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCC(=O)NO)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCNCc3ccc(\C=C\C(=O)NO)cc3)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCNCc3ccc(cc3)C(=O)NO)c2n1
COc1ccc(cn1)-c1nc(N2CCOCC2)c2sc(CN(C)c3ncc(cn3)C(=O)NO)cc2n1
COc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
COc1ccc2C3=NCCN3C(NC(=O)c3cccnc3)=Nc2c1OC |c:22,t:6|
COc1ccc2[nH]c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2ccc(=O)oc2c1C1=NN(C(C1)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 |t:15|
COc1ccc2n(Cc3ccc(cc3)C#N)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3ccc(cc3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3cccc(c3)C#N)c3c(c(C)n[nH]c3=O)c2c1
COc1ccc2n(Cc3cccc(c3)[N+]([O-])=O)c3c(c(C)n[nH]c3=O)c2c1
COc1cccc(-c2c[nH]c3ncnc(N[C@@H](C)c4nn5ccc(C)c5c(=O)n4-c4ccccc4)c23)c1O |r|
COc1cccc(Cn2c3ccc(Br)cc3c3c(C)n[nH]c(=O)c23)c1
COc1cccc(Cn2c3ccc(F)cc3c3c(C)n[nH]c(=O)c23)c1
COc1cccc(Cn2c3ccc(OC)cc3c3c(C)n[nH]c(=O)c23)c1
COc1cccc2n(c(nc12)C(F)F)-c1cc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1cc(nc(n1)N1CCOCC1)N1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2[nH]c(=O)n(C3CCN(CC3)S(C)(=O)=O)c2n1
COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)S(C)(=O)=O)c2n1
COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2ncn(C3CCN(CC3)S(C)(=O)=O)c2n1
COc1cccc2n(c(nc12)C(F)F)-c1nc(N2CCOCC2)c2nnn(C3CCN(CC3)S(C)(=O)=O)c2n1
COc1cccc2n(c(nc12)C(F)F)-c1nc(NC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(NC2CN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(NCC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@@H]2CCCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@@H]2CCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CCCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CCN(C2)S(C)(=O)=O)nc(n1)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CC[C@@H](CC2)NS(C)(=O)=O)nc(n1)N1CCOCC1 |r,wU:18.19,wD:21.26,(34.54,-26.24,;35.56,-27.39,;35.07,-28.85,;33.56,-29.16,;33.07,-30.62,;34.1,-31.77,;35.6,-31.47,;36.84,-32.38,;38.1,-31.49,;37.63,-30.02,;36.09,-30.01,;39.56,-31.98,;40.71,-30.96,;39.86,-33.49,;36.83,-33.92,;38.15,-34.7,;38.14,-36.24,;39.47,-37.03,;40.81,-36.27,;40.81,-34.74,;42.16,-33.98,;43.48,-34.77,;43.46,-36.31,;42.13,-37.06,;44.83,-34.01,;46.14,-34.8,;47.49,-34.05,;46.9,-36.13,;45.37,-36.12,;36.8,-37,;35.47,-36.22,;35.49,-34.68,;34.13,-36.98,;34.12,-38.52,;32.78,-39.28,;31.45,-38.49,;31.47,-36.95,;32.81,-36.2,)|
COc1cccc2n(c(nc12)C(F)F)-c1nc(N[C@H]2CC[C@H](CC2)NS(C)(=O)=O)nc(n1)N1CCOCC1 |r,wU:18.19,21.26,(34.54,-26.24,;35.56,-27.39,;35.07,-28.85,;33.56,-29.16,;33.07,-30.62,;34.1,-31.77,;35.6,-31.47,;36.84,-32.38,;38.1,-31.49,;37.63,-30.02,;36.09,-30.01,;39.56,-31.98,;40.71,-30.96,;39.86,-33.49,;36.83,-33.92,;38.15,-34.7,;38.14,-36.24,;39.47,-37.03,;40.81,-36.27,;40.81,-34.74,;42.16,-33.98,;43.48,-34.77,;43.46,-36.31,;42.13,-37.06,;44.83,-34.01,;46.14,-34.8,;47.49,-34.05,;46.9,-36.13,;45.37,-36.12,;36.8,-37,;35.47,-36.22,;35.49,-34.68,;34.13,-36.98,;34.12,-38.52,;32.78,-39.28,;31.45,-38.49,;31.47,-36.95,;32.81,-36.2,)|
COc1cccc2n(c(nc12)C(F)F)-c1nc(OC2CCN(CC2)S(=O)(=O)CCN(C)C)nc(n1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(OC2CCN(CC2)S(C)(=O)=O)nc(n1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(cc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CC2CCC(C1)O2)N1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)N(C)S(=O)(=O)CCN(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)N(C)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)N(CCCN(C)C)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)N(CCCN1CCOCC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)NS(=O)(=O)CCN(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)NS(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)S(=O)(=O)N(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CC1)S(=O)(=O)NCCN(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC(CNS(C)(=O)=O)CC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCCC(CNS(C)(=O)=O)C1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@@H](C1)N(C)S(C)(=O)=O)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@@H](C1)NS(C)(=O)=O)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)N(C)S(C)(=O)=O)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCC[C@H](C1)NS(C)(=O)=O)N1CCOCC1 |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCCN(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCCN1CCOCC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CC2CCC(C1)O2)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCCC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCCCC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCN(C)CC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCN(CCO)CC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCOCC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCS(=O)(=O)CC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CCSCC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCN1CC[S+]([O-])CC1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCc1ccccn1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCc1ccncc1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)CCn1ccnc1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)N(C)C)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(=O)(=O)c1cccnc1)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)C1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCN(CC1)S(C)(=O)=O)N1CCOCC1
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCCN(C1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(=O)(=O)CCN(C)C
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)C1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)C1CN(C1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@@H]1CCCN(C1)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@@H]1CCN(C1)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@H]1CCCN(C1)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(C)[C@H]1CCN(C1)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(CCCN(C)C)C1CCCN(C1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(CCCN(C)C)C1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(CCCN1CCN(CC1)S(C)(=O)=O)C1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(CCCN1CCOCC1)C1CCCN(C1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N(CCCN1CCOCC1)C1CCN(CC1)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC(C1)N(C)S(=O)(=O)CCN(C)C
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC(C1)N(C)S(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC(C1)NS(=O)(=O)CCN(C)C
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC(C1)NS(C)(=O)=O
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCC(C1)S(=O)(=O)NCCN(C)C
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@@H](C1)N(C)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@@H](C1)NS(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)N(C)S(C)(=O)=O |r|
COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CC[C@H](C1)NS(C)(=O)=O |r|
COc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
COc1ccccc1-c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
COc1ccccc1-n1cc(CNC(=O)c2cnc3ccc(cn23)-c2cnc(OC)c(NS(=O)(=O)c3ccc(F)cc3F)c2)nn1
COc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cn(C)nc2C)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-3.54,3.12,;-3.07,4.58,;-3.84,5.91,;-1.53,4.58,;-1.05,3.12,;.44,2.72,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cncc(F)c1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;-.34,.24,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1cncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)c1
COc1cncc(c1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
COc1cncc(c1)-n1c(nc2cccc(Cl)c2c1=O)[C@H](C)Nc1nc(N)nc(N)c1C#N |r|
COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cn[nH]c2)n(C)c1=O |(6.3,-.07,;4.81,-.47,;3.72,.62,;4.12,2.11,;3.03,3.2,;1.54,2.8,;1.14,1.31,;2.23,.22,;1.84,-1.27,;.37,-1.74,;.37,-3.28,;-.96,-4.05,;-2.3,-3.28,;-2.3,-1.74,;-3.63,-.97,;-3.63,.57,;-4.96,1.34,;-6.3,.57,;-2.3,1.34,;-.96,.57,;-.96,-.97,;-2.3,2.88,;-1.05,3.78,;-1.53,5.25,;-3.07,5.25,;-3.54,3.78,;1.84,-3.76,;2.23,-5.25,;2.74,-2.51,;4.28,-2.51,)|
COc1cnccc1-n1c2c(cnc3cc(OC)c(cc23)-c2cnn(C)c2)n(C)c1=O |(6.3,-.74,;4.81,-1.14,;3.72,-.05,;4.12,1.44,;3.03,2.53,;1.54,2.13,;1.14,.64,;2.23,-.45,;1.84,-1.93,;.37,-2.41,;.37,-3.95,;-.96,-4.72,;-2.3,-3.95,;-2.3,-2.41,;-3.63,-1.64,;-3.63,-.1,;-4.96,.67,;-6.3,-.1,;-2.3,.67,;-.96,-.1,;-.96,-1.64,;-2.3,2.21,;-1.05,3.12,;-1.53,4.58,;-3.07,4.58,;-3.84,5.91,;-3.54,3.12,;1.84,-4.43,;2.23,-5.91,;2.74,-3.18,;4.28,-3.18,)|
COc1ncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F
COc1ncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
COc1ncc(Nc2ncc(CN3CCN(C[C@@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r|
COc1ncc(Nc2ncc(CN3CCN(C[C@H]3C)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)N2CCN(CC2)S(C)(=O)=O)cc1F
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@@H](N2CCN(CC2)S(C)(=O)=O)C(F)(F)F)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(CC2)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(C[C@@H]2C)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](C)N2CCN(C[C@H]2C)S(C)(=O)=O)cc1F |r|
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)[C@H](N2CCN(CC2)S(C)(=O)=O)C(F)(F)F)cc1F |r|
COc1ncc(cc1NS(=O)(=O)CC#N)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(=O)(=O)c1ccc(Cl)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC(C)C)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC(F)F)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCCCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCN(C)CC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOC(C)(C)C2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2nc(N)nc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OC2CCOCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2(C)COC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCN(C)CC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCC2CCOCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN(C)C)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN2CCCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN2CCOCC2)c2ncnc(C)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(O[C@@H]2CCOC2)c2ncnc(C)c2c1 |r|
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3cn(CCCN4CCOCC4)nn3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(C)o3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(-c3nnc(o3)-c3cccc(c3)C(O)=O)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCCN3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCCN3CCOCC3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(CCN4CCN(C)CC4)nn3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(CCN4CCOCC4)nn3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(nn3)-c3ccccc3C(N)=O)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(C(=O)NCc3cn(nn3)-c3ccccc3O)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)C3CCCCC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN(C)CCO)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCC(O)CC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCCC(O)C3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCN(C)CC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NC(C)=O)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NCC3CCCCC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NCC3CCN(CC3)C(C)=O)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NCC3CCN(CC3)S(C)(=O)=O)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NCc3ccc(cc3)C(F)(F)F)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncc(NCc3ccccc3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2nccc(-c3ccnnc3)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1ccc2ncn(CCCN3CCOCC3)c(=O)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F)-c1ccc2ncc(NC(=O)CN3CCOCC3)c(OC)c2c1
COc1ncc(cc1NS(=O)(=O)c1ccc(cc1)[N+]([O-])=O)-c1ccc2ncc(-c3nnc(CCN4CCN(C)CC4)o3)n2c1
COc1ncc(cc1NS(=O)(=O)c1ccccc1)C1=CCOCC1 |t:20|
COc1ncc(cc1NS(C)(=O)=O)-c1cc(NC(=O)c2coc(CN3CCN(CC3)C(C)C)n2)c2cnn(C)c2n1
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1Cl
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OCCN2CCC(CC2)C(C)(C)O)c2COCc2c1F
COc1ncc(cc1NS(C)(=O)=O)-c1cc(OC[C@H]2CN(C)CCO2)c2COCc2n1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(CC(=O)CN2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(CCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C2CCCN(C)C2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CC2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(C)CC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2CCN(CC2)C(C)C)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)CN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NC(=O)C[C@H]2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(NCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCC2CCCN(C)C2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)c1F
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCC(CC2)C(C)(C)O)n1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2CCOCC2)c1
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OCCN2C[C@H](C)O[C@H](C)C2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@@H]2CN(C)CCO2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(C)CCO2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CC(C)(C)O)CCO2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(OC[C@H]2CN(CCO2)C2COC2)c1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2COCc2c(c1)C(=O)NC[C@@H]1C[C@H](C)O[C@H](C)C1 |r|
COc1ncc(cc1NS(C)(=O)=O)-c1cc2[C@@H](C)OCc2c(OCCN2CCC(CC2)C(C)(C)O)c1 |r|
COc1ncc(cc1S(=O)(=O)Nc1ccccc1)C1=CCOCC1 |t:20|
COc1ncc(cc1S(=O)(=O)Nc1ccnc(C)c1)C1=CCOCC1 |t:21|
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCC(CC2)C(C)(C)O)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)(C)C)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)c(F)c1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1ccnc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1F)N1CCOCC1 |r|
COc1ncc(cc1S(=O)(=O)Nc1cncc(C)c1)C1=CCOCC1 |t:21|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN(C)C)cc1)C1=CCOCC1 |t:31|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)c(F)c1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCC2)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCCCC2)s1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(C)CC2)cc1)C1=CCOCC1 |t:36|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)C1=CCOCC1 |t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)cc1F)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCN(CC2)C(C)C)nc1)C1=CCOCC1 |t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2CCNCC2)cc1)C1=CCOCC1 |t:35|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)N(C)[C@H](C)C2)cc1)C1=CCOCC1 |r,t:38|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)C1=CCOCC1 |r,t:37|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1ccc(cc1)N1CCN(CC1)C(C)C)C1=CCOCC1 |t:37|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1cccc(CN2CCCC2)c1)C1=CCOCC1 |t:34|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)-c1cccc(CN2CCCCC2)c1)C1=CCOCC1 |t:35|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1CCN(CC1)C(C)C)C1=CCOCC1 |t:33|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1CCN(CC1)C(C)C)N1CCOCC1
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C#CCN1C[C@H](C)O[C@H](C)C1)C1=CCOCC1 |r,t:32|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C1=CCN(C)CC1)C1=CCOCC1 |t:20,28|
COc1ncc(cc1S(=O)(=O)Nc1cncc(c1)C1CC1CN(C)C)C1=CCOCC1 |t:28|
COc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
COc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2cn13
COc1ncccc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
CS(=O)(=O)C(F)(F)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C(F)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C1(CC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1F
CS(=O)(=O)C1(CC1)c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CS(=O)(=O)C1(CC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12 |r|
CS(=O)(=O)C1(CC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(cc2[nH]ccc12)C(F)(F)F |r|
CS(=O)(=O)C1(CC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1ccc(F)c2[nH]ccc12 |r|
CS(=O)(=O)C1(CC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C1(CCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(cc2[nH]ccc12)C(F)(F)F |r|
CS(=O)(=O)C1(CCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1ccc(F)c2[nH]ccc12 |r|
CS(=O)(=O)C1(CCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C1(CCCCC1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)C1(CCNCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3CCOc12)-c1cc(F)cc2[nH]ccc12 |@:15|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3COc12)-c1c(F)ccc2[nH]ccc12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3COc12)-c1cc(F)cc2[nH]ccc12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3COc12)-c1ccnc2[nH]ccc12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOCC3COc12)-c1cncc2[nH]ccc12
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@@H]3CCOc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@@H]3COc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3CCOc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(F)cc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cc(cc2[nH]ccc12)C(F)(F)F |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1ccc(F)c2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1cccc2[nH]ccc12 |r|
CS(=O)(=O)C1(CCOCC1)c1nc(nc2N3CCOC[C@H]3COc12)-c1ccnc2[nH]ccc12 |r|
CS(=O)(=O)C1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CS(=O)(=O)CCN1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
CS(=O)(=O)Cc1cc(nc(n1)N1CCOCC1)-c1cnc(N)cc1C(F)(F)F
CS(=O)(=O)Cc1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CS(=O)(=O)N1C2CCC1CN(Cc1cn3cc(nc(N4CCOCC4)c3n1)-c1cnc(N)nc1)C2
CS(=O)(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
CS(=O)(=O)N1CC2CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)CC2C1
CS(=O)(=O)N1CCC(CN2CCc3c(C2)nc2c(nc(cn32)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCC2(CN(Cc3cn4cc(nc(N5CCOCC5)c4n3)-c3cnc(N)nc3)C2)CC1
CS(=O)(=O)N1CCC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CS(=O)(=O)N1CCC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CS(=O)(=O)N1CCN(CC1)c1cnc2c(nc(cn12)-c1cccc(O)c1)N1CCOCC1
CS(=O)(=O)N1CCN(CC1)c1nc(N2CCOCC2)c2sc(CO)cc2n1
CS(=O)(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
CS(=O)(=O)N1CCN(Cc2cc3c(nc(c(Cl)n3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2cc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2cn3c(C#N)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1
CS(=O)(=O)N1CCN(Cc2cn3c(Cl)c(nc(N4CCOCC4)c3n2)-c2cnc3[nH]ccc3c2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2ccc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2ccc3[nH]ccc3c2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2ccc3[nH]ncc3c2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc(O)c2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ccc23)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cccc3[nH]ncc23)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)c(c2)C#N)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2C(F)(F)F)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc3[nH]ccc3c2)CC1
CS(=O)(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cncnc2)CC1
CS(=O)(=O)N1CCN(Cc2cn3nc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(-c4cnc(N)nc4)c(Cl)n3n2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cccc3[nH]ncc23)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3c2Br)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CCN(Cc2nc3c(nc(cn3n2)-c2cnc(N)nc2)N2CCOCC2)CC1
CS(=O)(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CS(=O)(=O)N1CC[C@@](CO)(C1)Nc1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1 |r|
CS(=O)(=O)N1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
CS(=O)(=O)N1CCc2nc3c(nc(cn3c2C1)-c1cnc(N)nc1)N1CCOCC1
CS(=O)(=O)NCCN1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1
CS(=O)(=O)N[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:7.9,wD:5.4,(5.4,-7.59,;4.07,-6.82,;4.84,-5.49,;3.3,-8.15,;2.73,-6.05,;2.73,-4.51,;3.82,-3.42,;2.73,-2.33,;1.64,-3.42,;2.73,-.79,;3.64,.45,;2.73,1.7,;1.27,1.22,;1.27,-.32,;-.07,-1.09,;-1.4,-.32,;-1.4,1.22,;-.07,1.99,;-.07,3.53,;1.27,4.3,;1.27,5.84,;-.07,6.61,;-.07,8.15,;-1.4,5.84,;-1.4,4.3,;-2.73,-1.09,;-4.07,-.32,;-5.4,-1.09,;-5.4,-2.63,;-4.07,-3.4,;-2.73,-2.63,)|
CS(=O)(=O)N[C@H]1C[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wD:7.9,5.4,(5.4,-7.59,;4.07,-6.82,;4.84,-5.49,;3.3,-8.15,;2.73,-6.05,;2.73,-4.51,;3.82,-3.42,;2.73,-2.33,;1.64,-3.42,;2.73,-.79,;3.64,.45,;2.73,1.7,;1.27,1.22,;1.27,-.32,;-.07,-1.09,;-1.4,-.32,;-1.4,1.22,;-.07,1.99,;-.07,3.53,;1.27,4.3,;1.27,5.84,;-.07,6.61,;-.07,8.15,;-1.4,5.84,;-1.4,4.3,;-2.73,-1.09,;-4.07,-.32,;-5.4,-1.09,;-5.4,-2.63,;-4.07,-3.4,;-2.73,-2.63,)|
CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
CS(=O)(=O)Nc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
CS(=O)(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
CS(=O)(=O)Nc1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
CS(=O)(=O)[C@H]1CC[C@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
CS(=O)(=O)[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:6.8,wD:4.3,(5.48,-7.42,;4.71,-6.08,;6.05,-5.31,;3.38,-6.85,;3.94,-4.75,;4.34,-3.26,;2.86,-2.86,;2.46,-4.35,;2.09,-1.53,;2.99,-.28,;2.09,.96,;.62,.49,;.62,-1.05,;-.71,-1.82,;-2.05,-1.05,;-2.05,.49,;-.71,1.26,;-.71,2.8,;.62,3.57,;.62,5.11,;-.71,5.88,;-.71,7.42,;-2.05,5.11,;-2.05,3.57,;-3.38,-1.82,;-4.71,-1.05,;-6.05,-1.82,;-6.05,-3.36,;-4.71,-4.13,;-3.38,-3.36,)|
CS(=O)(=O)c1ccc(cc1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:20:24:29.30:27|
CS(=O)(=O)c1cccc(c1)-c1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2[nH]c(N)nc2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2[nH]c(NC(C)=O)nc2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(N)c(-c3cnn(C)c3)n2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(N)cn2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(N)nn2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(=O)N3CCC[C@H]3C(N)=O)cn2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(=O)c3ccccc3)cn2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(C)=O)cn2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NC(C)=O)nn2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2nc(NS(C)(=O)=O)cn2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccc2ncc(-c3cnn(C)c3)n2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccc(C(O)=O)c(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccc(CC(O)=O)cc3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccccn3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccn[nH]3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3ccncn3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3cnc(C)o3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3cnn(CCO)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)c(-c3nc[nH]n3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)cc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(N)nc2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(NC(C)=O)c(-c3cnn(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(NC(C)=O)cc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2nc(NC(C)=O)nc2c1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1ccn2ncc(-c3cnn(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1cnc2[nH]ccc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1nccnc1N |r|
C[C@@H](C1CC1)N1Cc2cc(cc(C)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cc(NC(C)=O)no1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cc(no1)N(C)C(C)=O |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(N)nc1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(NC(C)=O)s1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(NC(C)=O)cc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cn(C)nc3C)c2n1 |r,wU:1.1,(48.11,-8.68,;47.35,-10.02,;48.13,-11.35,;48.15,-12.89,;49.47,-12.1,;45.8,-10.03,;44.89,-8.79,;43.42,-9.28,;42.09,-8.52,;40.76,-9.29,;40.76,-10.84,;42.09,-11.6,;43.44,-10.83,;44.91,-11.29,;45.4,-12.75,;42.1,-13.15,;40.77,-13.92,;43.43,-13.91,;42.09,-14.67,;39.43,-8.52,;39.43,-6.99,;38.1,-6.21,;36.76,-6.99,;35.29,-6.52,;34.4,-7.77,;32.86,-7.78,;35.31,-9.01,;34.84,-10.47,;33.38,-10.96,;33.38,-12.5,;32.15,-13.41,;34.85,-12.97,;35.74,-11.72,;37.28,-11.72,;36.77,-8.53,;38.1,-9.29,)|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cnn(C)c3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3cnn(C)c3C)c2n1 |r,wU:1.1,(23.18,-8.51,;22.41,-9.85,;23.2,-11.19,;23.21,-12.73,;24.54,-11.94,;20.87,-9.87,;19.96,-8.62,;18.49,-9.12,;17.15,-8.35,;15.82,-9.13,;15.82,-10.67,;17.16,-11.44,;18.5,-10.66,;19.98,-11.13,;20.47,-12.59,;17.16,-12.98,;15.84,-13.75,;18.49,-13.75,;17.15,-14.51,;14.49,-8.36,;14.5,-6.82,;13.17,-6.05,;11.83,-6.82,;10.36,-6.36,;9.46,-7.61,;7.93,-7.61,;10.37,-8.85,;9.91,-10.31,;10.81,-11.56,;9.92,-12.8,;8.45,-12.33,;7.22,-13.24,;8.45,-10.8,;7.2,-9.91,;11.84,-8.36,;13.17,-9.13,)|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(N)c(-c3ncccn3)c2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)C(F)(F)F)-c1ccn2nc(NC(C)=O)cc2n1 |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)CCCO)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(C)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(N)(=O)=O)-c1sc(NC(C)=O)nc1C |r|
C[C@@H](N1CCOCC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 |r|
C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C |r|
C[C@@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
C[C@@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
C[C@@H]1CN(C[C@@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)C(C)=O |r|
C[C@@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r|
C[C@@H]1COCCN1c1nc(N2CCOCC2)c2sc(CO)cc2n1 |r|
C[C@@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1C2CC1COC2 |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1 |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC1(C)C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOCC11CCC1 |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@@H]1CO |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1CO |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@@H]1C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@@H](C)COC[C@H]1C |r|
C[C@@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1[C@H](C)COC[C@H]1C |r|
C[C@@]1(CCN(C1)S(C)(=O)=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
C[C@@]1(O)C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:4.6,1.1,wD:1.0,(5.77,-5.31,;4.23,-5.31,;4.23,-6.85,;4.62,-3.83,;3.14,-3.43,;2.74,-4.91,;2.37,-2.09,;3.27,-.85,;2.37,.4,;.9,-.08,;.9,-1.62,;-.43,-2.39,;-1.76,-1.62,;-1.76,-.08,;-.43,.69,;-.43,2.23,;.9,3,;.9,4.54,;-.43,5.31,;-.43,6.85,;-1.76,4.54,;-1.76,3,;-3.1,-2.39,;-4.43,-1.62,;-5.77,-2.39,;-5.77,-3.93,;-4.43,-4.7,;-3.1,-3.93,)|
C[C@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1sc(NC(C)=O)nc1C |r|
C[C@H](N1CCOCC1)c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12 |r|
C[C@H](NC(=O)c1c(N)nn2cccnc12)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1cc(N)nc(N)n1)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2ccc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(C(F)F)c1C#N)c1nc2cccc(F)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cccnc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(Cl)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(F)c1C |r,wD:1.0,(2,.38,;.67,-.39,;.67,-1.93,;2,-2.7,;3.33,-1.93,;4.67,-2.7,;6,-1.93,;4.67,-4.24,;3.33,-5,;3.33,-6.54,;2,-4.24,;.67,-5.01,;-.67,-5.78,;-.67,.38,;-2,-.39,;-3.33,.38,;-4.67,-.39,;-6,.38,;-6,1.92,;-4.67,2.69,;-4.67,4.23,;-3.33,1.92,;-2,2.69,;-2,4.23,;-.67,1.92,;.67,2.69,;2,1.92,;3.33,2.69,;3.33,4.23,;2,5,;2,6.54,;.67,4.23,;-.67,5,)|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C#N |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C(F)(F)F |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(c1)C1CC1 |r|
C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cnccc1C |r,wD:1.0,(2,1.15,;.67,.38,;.67,-1.16,;2,-1.93,;3.33,-1.16,;4.67,-1.93,;6,-1.15,;4.67,-3.47,;3.33,-4.23,;3.33,-5.78,;2,-3.47,;.67,-4.24,;-.67,-5.01,;-.67,1.15,;-2,.38,;-3.33,1.15,;-4.67,.38,;-6,1.15,;-6,2.69,;-4.67,3.46,;-4.67,5,;-3.33,2.69,;-2,3.46,;-2,5,;-.67,2.69,;.67,3.46,;2,2.69,;3.33,3.46,;3.33,5,;2,5.78,;.67,5,;-.67,5.77,)|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(Cl)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cccc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2ccc(F)cc2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(Cl)c2c(=O)n1-c1ccon1 |r|
C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2cccc(F)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1nc(N)nc(c1C#N)C(F)(F)F)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(Cl)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(c1)C(F)(F)F)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1ccc(O)c(F)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1ccc(O)cc1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1ccc2cc[nH]c2c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1-c1cccc(NS(C)(=O)=O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(C#CCO)c2c(=O)n1C |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(C#CCO)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2ccc(F)c(C#CCO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(C#CCO)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nc(C)no1)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(-c3cnn(C)c3)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1-c1nnc(C)o1)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1-c1noc(C)n1)c1cc2cccc(Cl)c2c(=O)n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:13|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(CCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1cccc(OCCN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN(C)C)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CN2CCC2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1cc2scc(C)n2c(=O)c1Cc1cccc(CNCCCCOCCc2ccccc2)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cc(F)ccc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccc(F)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccc1S(C)(=O)=O |r,wD:1.0,(32.71,-29.69,;34.04,-28.91,;34.04,-27.37,;32.7,-26.61,;31.37,-27.37,;30.04,-26.61,;30.04,-25.06,;31.37,-24.29,;31.36,-22.75,;32.7,-25.06,;34.03,-24.28,;35.36,-23.51,;35.38,-29.68,;36.78,-29.05,;37.82,-30.19,;39.35,-30.19,;40.11,-31.51,;39.35,-32.85,;40.12,-34.18,;37.82,-32.85,;37.05,-31.52,;35.54,-31.21,;34.41,-32.24,;32.94,-31.76,;31.8,-32.8,;32.12,-34.31,;33.6,-34.77,;34.73,-33.73,;36.19,-34.2,;36.52,-35.7,;36.58,-32.71,;37.67,-33.8,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1-c1cncc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cc2n1C1CC1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cc(F)cc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccc(F)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cccc(c1)S(C)(=O)=O |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccc1S(C)(=O)=O |r,wD:1.0,(11.04,-46.77,;12.38,-45.99,;12.38,-44.44,;11.04,-43.68,;9.7,-44.45,;8.37,-43.68,;8.37,-42.13,;9.7,-41.35,;9.7,-39.81,;11.03,-42.12,;12.37,-41.35,;13.71,-40.57,;13.72,-46.76,;15.13,-46.13,;16.17,-47.27,;17.7,-47.27,;18.47,-48.6,;17.71,-49.94,;18.48,-51.27,;16.17,-49.94,;15.39,-48.61,;13.89,-48.3,;12.75,-49.32,;11.29,-48.85,;10.15,-49.88,;10.47,-51.39,;11.94,-51.85,;13.08,-50.82,;14.53,-51.28,;14.87,-52.79,;14.93,-49.79,;16.02,-50.88,)|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1ccccn1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cccnc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2ccc(F)cn2c1-c1cncc(F)c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cc[nH]n1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(O)cc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cn[nH]c1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C#N)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C#N)c1nn2cccc2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc(N)c1C(=O)Nc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1Cc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc(N)c1Sc1cccc(O)c1)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cc(NS(C)(=O)=O)cc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(F)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(-c3cc(O)cc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cc(ccc3O)C(F)(F)F)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3ccc(O)cc3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(F)c3O)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cccc(NS(C)(=O)=O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cccc4[nH]ccc34)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(-c3cnn(C)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(C(=O)Nc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cc(Cc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1
C[C@H](Nc1ncnc2[nH]cc(Sc3cccc(O)c3)c12)c1nn2ccc(C)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2[nH]cnc12)C1=Nc2cccc(Cl)c2S(=O)(=O)N1c1ccccc1 |r,t:14|
C[C@H](Nc1ncnc2[nH]cnc12)c1nc2scc(C)n2c(=O)c1-c1cccc(F)c1 |r|
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1 |r|
C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(N)c2c(=O)n1-c1ccccc1 |r|
C[C@H](O)C(=O)N1CCN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CC1 |r|
C[C@H](O)C(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
C[C@H](c1nc(nn1C)-c1cnc(N)c(n1)-n1nnc2ccccc12)c1ccccc1 |r|
C[C@H]1CN(C[C@@H](C)N1Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cnc(N)nc1)S(C)(=O)=O |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(-c3ccn[nH]3)c(C)c2n1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(CO)cc2n1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccc(N)nc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccc[nH]1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cccc2[nH]ncc12 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccccc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccccc1O |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccccn1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cccnc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccco1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccn[nH]1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccncc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccnn1C |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccoc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1ccsc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cn[nH]c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cnc(N)nc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cncnc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)-c1cnn(C)c1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)C(N)=O |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(N2CCOCC2)c2sc(cc2n1)C(O)Cc1ccccc1 |r|
C[C@H]1CN(C[C@@H](C)O1)c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
C[C@H]1CN(C[C@H]1N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1)C(C)=O |r|
C[C@H]1CN(Cc2cn3cc(nc(N4CCOCC4)c3n2)-c2cnc(N)nc2)CCN1S(C)(=O)=O |r|
C[C@H]1COCCN1c1cc(nn2ccnc12)-c1ccc(NC(=O)Nc2cccnc2)cc1 |r|
C[C@H]1COCCN1c1cc(nn2ccnc12)-c1ccc(NC(=O)Nc2ccncc2)cc1 |r|
C[C@H]1COCCN1c1nc(Oc2ccc(cc2)C(=O)N(C)C)nc(n1)-c1cnc(N)s1 |r|
C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r|
C[C@H]1COCCN1c1nc(cc(n1)C(C)(C)S(C)(=O)=O)-c1cnc(N)cc1F |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CC1)S(C)(=O)=O)-c1cnc(N)cc1F |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CCC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r|
C[C@H]1COCCN1c1nc(cc(n1)C1(CCCC1)S(C)(=O)=O)-c1cnc(N)cc1C(F)(F)F |r|
C[C@H]1COCCN1c1nc(nc(n1)-c1cnc(N)cc1C(F)F)N1CCOC[C@H]1C |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CC(F)(F)C1 |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)C1CC1 |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(=O)(=O)N(C)C |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(C)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)C1CN(C1)S(N)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CCC(F)(F)C1 |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CCN(C1)C(=O)NC(C)(C)C |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CCN(C1)C(=O)OC1CN(C1)C(C)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CCN(C1)S(C)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@@H]1CN(C[C@H]1O)S(N)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCC(F)(F)C1 |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)C(=O)OC(C)(C)C |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)C(C)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(=O)(=O)C1CC1 |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(C)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1CCN(C1)S(N)(=O)=O |r|
C[C@H]1COCCN1c1nc2N(CCc2c(n1)-c1cnc(N)nc1)[C@H]1C[C@@H](C1)N(C)S(C)(=O)=O |r,wU:1.0,25.31,wD:23.26,(-2.26,-3.57,;-3.59,-2.8,;-4.93,-3.57,;-6.26,-2.8,;-6.26,-1.26,;-4.93,-.49,;-3.59,-1.26,;-2.26,-.49,;-.93,-1.26,;.41,-.49,;1.87,-.96,;2.78,.28,;1.87,1.53,;.41,1.05,;-.93,1.82,;-2.26,1.05,;-.93,3.36,;.41,4.13,;.41,5.67,;-.93,6.44,;-.93,7.98,;-2.26,5.67,;-2.26,4.13,;2.27,-2.45,;1.5,-3.79,;2.83,-4.56,;3.6,-3.22,;3.23,-6.04,;2.14,-7.13,;4.72,-6.44,;4.72,-7.98,;6.26,-6.44,;5.49,-5.11,)|
C[C@H]1COC[C@H](C)N1c1nc(Oc2ccc(cc2)C(=O)N(C)C)nc(n1)-c1cnc(N)s1 |r|
C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CCCc1ccccc1)C(F)(F)F |TLB:6:10:13.14:17|
C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CCc1ccc(O)cc1)C(F)(F)F |TLB:6:10:13.14:17|
C[C@]1(Cn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1C[C@@H](O)c1ccccc1)C(F)(F)F |TLB:6:10:13.14:17|
C[C@]1(Cn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(N)nc1)C(F)(F)F |TLB:6:10:15.16:13|
C[C@]1(O)C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:4.6,1.0,wD:1.1,(4.23,-6.85,;4.23,-5.31,;5.77,-5.31,;4.62,-3.83,;3.14,-3.43,;2.74,-4.91,;2.37,-2.09,;3.27,-.85,;2.37,.4,;.9,-.08,;.9,-1.62,;-.43,-2.39,;-1.76,-1.62,;-1.76,-.08,;-.43,.69,;-.43,2.23,;.9,3,;.9,4.54,;-.43,5.31,;-.43,6.85,;-1.76,4.54,;-1.76,3,;-3.1,-2.39,;-4.43,-1.62,;-5.77,-2.39,;-5.77,-3.93,;-4.43,-4.7,;-3.1,-3.93,)|
C[C@]12CCC(=O)c3coc(c13)C(=O)C[C@@H]2O |r|
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C(=O)C1C(=CNCC=C)C(=O)CC[C@]31C |r,w:17.19|
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)c1occ2c1[C@]3(C)CCC2=O |r|
Cc1c(CN2CCN(CC2)S(C)(=O)=O)nc2c(nc(cn12)-c1cnc(N)nc1)N1CCOCC1
Cc1c(N)ncc(C(=O)CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)c1C |TLB:17:21:26.27:24|
Cc1c(nc2N(CCCc3ccccc3)[C@@H](CCn2c1=O)C(F)(F)F)N1CC2CCC(C1)O2 |TLB:2:25:28.29:32|
Cc1c(nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(cc12)N1CCOCC1)-c1ccccn1
Cc1cc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Cc1cc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc(C)c1O
Cc1cc(cnc1N)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Cc1cc(cnc1N)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
Cc1cc2c(cccc2[nH]1)-c1nc2N3CCOCC3COc2c(n1)C1(CCOCC1)S(C)(=O)=O
Cc1cc2c(cccc2[nH]1)-c1nc2N3CCOC[C@H]3COc2c(n1)C(C)(C)S(C)(=O)=O |r|
Cc1cc2c(cccc2[nH]1)-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CC1)S(C)(=O)=O |r|
Cc1cc2c(cccc2[nH]1)-c1nc2N3CCOC[C@H]3COc2c(n1)C1(CCC1)S(C)(=O)=O |r|
Cc1cc2nc(nc(N3CCOCC3)c2s1)-c1cccc(O)c1
Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n(C3CCOCC3)c2n1
Cc1ccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
Cc1ccc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)cn1
Cc1ccc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
Cc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Cc1ccc(cn1)C(=O)CN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:13:25:30.31:28|
Cc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Cc1cccc(C)c1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
Cc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r|
Cc1ccccc1NC(=O)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
Cc1ccncc1-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
Cc1ccncc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Cc1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc(O)c1
Cc1cncc(c1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Cc1cncc(c1)C(=O)CN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:13:25:30.31:28|
Cc1csc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
Cc1n[nH]c(=O)c2[nH]c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)C#N)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3ccc(cc3)[N+]([O-])=O)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)C#N)c3ccc(F)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(Br)cc3c12
Cc1n[nH]c(=O)c2n(Cc3cccc(c3)[N+]([O-])=O)c3ccc(F)cc3c12
Cc1n[nH]c(C)c1-c1nc(cnc1N)-c1nc(n(C)n1)C1(CC1)c1ccccc1 |(25.94,-39.46,;25.61,-37.95,;26.63,-36.8,;25.86,-35.48,;24.36,-35.81,;23.2,-34.79,;24.21,-37.34,;22.88,-38.12,;21.55,-37.36,;20.22,-38.13,;20.22,-39.67,;21.55,-40.44,;22.89,-39.67,;24.22,-40.44,;18.88,-37.35,;18.72,-35.82,;17.22,-35.5,;16.45,-36.83,;14.92,-36.99,;17.48,-37.98,;16.54,-34.1,;15.21,-34.87,;15.21,-33.33,;17.29,-32.76,;18.83,-32.73,;19.57,-31.39,;18.78,-30.06,;17.23,-30.1,;16.49,-31.45,)|
Cc1n[nH]c(C)c1CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Cc1n[nH]c(C)c1CCN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:12:24:29.30:27|
Cc1nc(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)no1 |TLB:12:16:21.22:19|
Cc1nc(N)nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c1C#N |r|
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(=O)[nH]c1
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(Cl)nc1
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1ccc(nc1)C(F)(F)F
Cc1nc(N)nc(n1)-c1cc(CN2CCN(CC2)S(C)(=O)=O)cnc1Nc1cncc(F)c1
Cc1nc(N)ncc1-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
Cc1nc(N)ncc1-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)cn2c1Cl
Cc1nc(N)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Cc1nc(N)ncc1-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1
Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccnc(c1)C(C)(C)C(F)(F)F |r|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1c(F)cnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;2.11,1.91,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(C)nc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.09,2.71,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(C)ncn1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;4.01,-1.27,;5.5,-.87,;6.59,-1.96,;5.9,.62,;4.81,1.71,;3.32,1.31,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1cc(N)ncc1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.89,-1.75,;5.38,-1.35,;6.47,-2.44,;5.78,.13,;4.69,1.22,;3.2,.82,;2.11,1.91,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(C)n1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(Cl)c1)-c1nnc[nH]1 |(-5.15,-.24,;-3.66,-.64,;-2.94,-2,;-1.42,-1.73,;-.21,-2.68,;1.22,-2.1,;1.44,-.57,;.22,.37,;-1.2,-.2,;-2.59,.47,;-2.59,2.01,;-1.25,2.78,;-1.25,4.32,;-2.59,5.09,;-3.92,4.32,;-5.26,5.09,;-5.26,6.63,;-6.59,4.32,;-6.59,2.78,;-5.26,2.01,;-5.26,.47,;-3.92,2.78,;2.92,-.18,;3.32,1.31,;4.81,1.71,;5.9,.62,;5.5,-.87,;6.59,-1.96,;4.01,-1.27,;-.6,-4.16,;.47,-5.27,;-.26,-6.63,;-1.77,-6.36,;-1.99,-4.84,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1C)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1Cl)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(N)c1F)-c1nnc[nH]1 |(-5.25,-.24,;-3.71,-.24,;-3.24,-1.7,;-1.7,-1.7,;-.67,-2.85,;.84,-2.53,;1.32,-1.06,;.28,.08,;-1.22,-.24,;-2.47,.67,;-2.47,2.21,;-1.13,2.98,;-1.13,4.52,;-2.47,5.29,;-3.8,4.52,;-5.13,5.29,;-5.13,6.83,;-6.47,4.52,;-6.47,2.98,;-5.13,2.21,;-5.13,.67,;-3.8,2.98,;2.8,-.66,;3.2,.82,;4.69,1.22,;5.78,.13,;5.38,-1.35,;6.47,-2.44,;3.89,-1.75,;3.49,-3.24,;-1.07,-4.33,;-.16,-5.58,;-1.07,-6.83,;-2.53,-6.35,;-2.53,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C#N)-c1nnc[nH]1 |(-5.8,-.24,;-4.26,-.24,;-3.78,-1.7,;-2.24,-1.7,;-1.21,-2.85,;.3,-2.53,;.77,-1.06,;-.26,.08,;-1.77,-.24,;-3.01,.67,;-3.01,2.21,;-1.68,2.98,;-1.68,4.52,;-3.01,5.29,;-4.35,4.52,;-5.68,5.29,;-5.68,6.83,;-7.01,4.52,;-7.01,2.98,;-5.68,2.21,;-5.68,.67,;-4.35,2.98,;2.26,-.66,;2.66,.82,;4.14,1.22,;5.23,.13,;4.83,-1.35,;3.35,-1.75,;5.92,-2.44,;7.01,-3.53,;-1.61,-4.33,;-.7,-5.58,;-1.61,-6.83,;-3.07,-6.35,;-3.07,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccnc(c1)C(F)F)-c1nnc[nH]1 |(-6,-.24,;-4.46,-.24,;-3.98,-1.7,;-2.44,-1.7,;-1.41,-2.85,;.1,-2.53,;.57,-1.06,;-.46,.08,;-1.97,-.24,;-3.21,.67,;-3.21,2.21,;-1.88,2.98,;-1.88,4.52,;-3.21,5.29,;-4.54,4.52,;-5.88,5.29,;-5.88,6.83,;-7.21,4.52,;-7.21,2.98,;-5.88,2.21,;-5.88,.67,;-4.54,2.98,;2.06,-.66,;2.46,.82,;3.95,1.22,;5.03,.13,;4.64,-1.35,;3.15,-1.75,;5.72,-2.44,;5.33,-3.93,;7.21,-2.04,;-1.81,-4.33,;-.9,-5.58,;-1.81,-6.83,;-3.27,-6.35,;-3.27,-4.81,)|
Cc1nc2c(cc(cc2n1-c1ccnc2c(F)ccc(F)c12)-c1ccncc1)-c1nnc[nH]1 |(-4.91,-.24,;-3.37,-.24,;-2.89,-1.7,;-1.35,-1.7,;-.32,-2.85,;1.18,-2.53,;1.66,-1.06,;.63,.08,;-.88,-.24,;-2.12,.67,;-2.12,2.21,;-.79,2.98,;-.79,4.52,;-2.12,5.29,;-3.46,4.52,;-4.79,5.29,;-4.79,6.83,;-6.12,4.52,;-6.12,2.98,;-4.79,2.21,;-4.79,.67,;-3.46,2.98,;3.15,-.66,;4.24,-1.75,;5.72,-1.35,;6.12,.13,;5.03,1.22,;3.55,.82,;-.72,-4.33,;.18,-5.58,;-.72,-6.83,;-2.18,-6.35,;-2.18,-4.81,)|
Cc1nc2c(cc(cc2n1Cc1cccc(c1C)C(F)(F)F)N1CCOCC1)C(O)=O
Cc1ncc(cn1)-c1cn2cc(CN3CCN(CC3)S(C)(=O)=O)nc2c(n1)N1CCOCC1
Cc1ncc(cn1)-c1nc(N2CCOCC2)c2nc(CN3CCN(CC3)S(C)(=O)=O)cn2c1Cl
Cc1ncccc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Cc1ncccc1C(=O)CN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:13:25:30.31:28|
Cc1ncoc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Cc1ncsc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Cc1ncsc1CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:15:19:24.25:22|
Cc1ncsc1CCN1c2nc(cc(=O)n2CC1(C)C(F)(F)F)N1C[C@@H]2C[C@H]1CO2 |TLB:11:23:28.29:26|
Cc1noc(C)c1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Cc1nocc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Cc1nscc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
ClCC(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
Clc1cc(Cl)c2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Clc1ccc2nc(-c3ccco3)c(nc2c1Cl)-c1ccco1
Clc1cccc(Cl)c1\C=N\NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)-c1ccncc1)-c1nnc[nH]1
Clc1cccc2c(ccnc12)-n1cnc2c(cc(cc12)N1CCOCC1)-c1nnc[nH]1
Clc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r|
Clc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CCC3)n(-c3ccccc3)c(=O)c12 |r|
Clc1cccc2nc([C@@H]3CC4(CC4)CN3c3ncnc4[nH]cnc34)n(-c3ccccc3)c(=O)c12 |r|
Clc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Clc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccccc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ccc2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccccc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]nc(-c3ccncc3)c2c1
Clc1ncc(cc1NS(=O)(=O)c1ccccc1)-c1cnc2[nH]ncc2c1
Cn1c2cnc3ccc(cc3c2n(-c2ccc(cc2)C(C)(C)C#N)c1=O)-c1cnc2ccccc2c1
Cn1cc(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)c(n1)C(F)(F)F |TLB:12:16:21.22:19|
Cn1ccc2cc(ccc12)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Cn1cncc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
Cn1nc(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)c2ccccc12 |TLB:12:16:21.22:19|
Cn1nc(nc1C(C)(C)C1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1C1(CC1)N1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1C1(CC1)S(C)(=O)=O)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1c[nH]c2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1cc[nH]n1
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(C(N)=O)c(F)c1
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(F)nc1
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(N)nc1
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1ccc(cc1)C(N)=O
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1cn[nH]c1
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1cnn(c1)C(N)=O
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-c1nnc(o1)C(C)(C)C
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1cc(cn1)C(N)=O
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1ccc(n1)C(N)=O
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1cnc2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1ncc2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)c(n1)C#N
Cn1nc(nc1C1(CC1)c1ccccc1)-c1cnc(N)cn1
Cn1nc(nc1C1(CO)CC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1C1(Cc2ccccc2)CC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1CC1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1CN1CCOCC1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nc(nc1Cc1ccccc1)-c1cnc(N)c(n1)-n1nnc2ccccc12
Cn1nccc1C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:16:20:25.26:23|
FC(F)(F)C1CCn2c(nc(cc2=O)N2CC3C[C@H]2CO3)N1CC(=O)N1C2CC[C@H]1COC2 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2CC3C[C@H]2CO3)N1CC(=O)N1CC2CC[C@@H](C1)O2 |TLB:23:25:29.28:32,THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)C1CCN(CC1)C=O |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)C1CCOCC1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(cc1)C#N |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(nc1)C(F)(F)F |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cccc(c1)C#N |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccccn1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cccnc1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cccnc1C(F)(F)F |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccncc1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC1CCN(CC1)C=O |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC1CCOCC1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCC1CCN(CC1)C=O |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCC1CCOCC1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1cccnc1 |THB:10:14:20.19:17|
FC(F)(F)C1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1Cc1cccc2ncccc12 |THB:10:14:20.19:17|
FC(F)(F)Oc1ccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
FC(F)(F)Oc1ccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
FC(F)(F)S(=O)(=O)Cc1nc(nc2N3CCOCC3COc12)-c1cccc2[nH]ccc12
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C3CCC2COC3)N1CC(=O)c1cccnc1
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1ccccc1 |TLB:10:14:17.18:21|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1ccccn1 |TLB:10:14:17.18:21|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1cccnc1 |TLB:10:14:17.18:21|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2CC3CCC(C2)O3)N1CC(=O)c1ccncc1 |TLB:10:14:17.18:21|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)C1CC1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)N1CCOCC1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(NC2CC2)nc1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc(cc1)N1CCOCC1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc2nccn2c1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc2nsnc2c1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1ccc2snnc2c1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cnc(OCC2CC2)nc1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cnc2NCCOc2c1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CC(=O)c1cncc(Cl)c1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(OCC(=O)N2CCOCC2)cc1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1CCc1ccc(OCCN2CCOCC2)cc1 |TLB:10:14:19.20:17|
FC(F)(F)[C@@H]1CCn2c(nc(cc2=O)N2C[C@@H]3C[C@H]2CO3)N1Cc1cccc2cnccc12 |TLB:10:14:19.20:17|
FC(F)(F)c1cc(Cl)ncc1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
FC(F)(F)c1ccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
FC(F)(F)c1ccc(cc1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
FC(F)(F)c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
FC(F)(F)c1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
FC(F)(F)c1ccccc1-c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
FC(F)Oc1ccc(cc1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:20:24:29.30:27|
FC(F)Oc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:20:24:29.30:27|
FC(F)c1nc2c(OCCCN3CCOCC3)cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
FC(F)c1nc2c(OCCN3CCOCC3)cccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CC1)C(=O)CCOCCOCCOCCONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CCOCC1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCN(CCOCCOCCOCCONC(=O)c2ccc(F)c(F)c2Nc2ccc(I)cc2F)CC1)N1CCOCC1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCNCC1
FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
FC(F)n1ccc(CN2[C@@H](CCn3c2nc(cc3=O)N2CC3CCC(C2)O3)C(F)(F)F)n1 |TLB:15:19:22.23:26|
FCCOc1ccc(cc1F)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:21:25:30.31:28|
FCCOc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:20:24:29.30:27|
Fc1cc(ccc1-c1c(sc(N2CCOCC2)c1C#N)-c1nnc[nH]1)C#N |(23.39,-23.59,;24.93,-23.6,;25.69,-24.93,;27.23,-24.94,;28,-23.6,;27.24,-22.27,;25.7,-22.27,;24.94,-20.94,;25.42,-19.47,;24.17,-18.56,;22.91,-19.47,;21.57,-18.7,;21.56,-17.16,;20.23,-16.4,;18.89,-17.18,;18.9,-18.72,;20.24,-19.48,;23.39,-20.94,;22.49,-22.19,;21.58,-23.43,;26.88,-18.99,;28.12,-19.89,;29.37,-18.99,;28.89,-17.52,;27.35,-17.52,;28,-26.27,;28.77,-27.6,)|
Fc1ccc(C(=O)CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)c(F)c1 |TLB:15:19:24.25:22|
Fc1ccc(CN2C(=O)COc3ccc(\C=C4/SC(=S)NC4=O)cc23)cc1Cl
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
Fc1ccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1Cl
Fc1ccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1
Fc1ccc(c(F)c1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Fc1ccc(cc1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Fc1ccc(cc1)S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
Fc1ccc(cc1F)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:18:22:27.28:25|
Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2sc(CN3CCN(CC4CC4)CC3)cc2n1
Fc1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Fc1ccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c2c1 |r|
Fc1cccc(NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)c1
Fc1cccc(c1)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Fc1cccc(c1F)-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Fc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r|
Fc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CCC3)n(-c3ccccc3)c(=O)c12 |r|
Fc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Fc1ccccc1-c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Fc1ccccc1NC(=O)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
Fc1ccccc1S(=O)(=O)Nc1cc(cnc1Cl)-c1cnc2[nH]cc(-c3ccncc3)c2c1
NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
NC(=N)NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
NC(=N)NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
NC(=O)N1CC(C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1
NC(=O)N1CC[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r|
NC(=O)[C@H]1C[C@@H](C1)N1CCc2c1nc(nc2-c1cnc(N)nc1)N1CCOCC1 |r,wU:5.7,wD:3.2,(3.84,-7.42,;4.61,-6.08,;6.15,-6.08,;3.84,-4.75,;4.24,-3.26,;2.75,-2.86,;2.35,-4.35,;1.98,-1.53,;2.89,-.28,;1.98,.96,;.52,.49,;.52,-1.05,;-.82,-1.82,;-2.15,-1.05,;-2.15,.49,;-.82,1.26,;-.82,2.8,;.52,3.57,;.52,5.11,;-.82,5.88,;-.82,7.42,;-2.15,5.11,;-2.15,3.57,;-3.48,-1.82,;-4.82,-1.05,;-6.15,-1.82,;-6.15,-3.36,;-4.82,-4.13,;-3.48,-3.36,)|
NC(=O)c1ccc(cc1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
NC(=O)c1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
NC(=O)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
NCC(=O)Nc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
NCCC(=O)Nc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
NCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
NCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
NOCCOCCOCCOCCC(=O)N1CCN(CC1)c1nc(nc(n1)-n1c(nc2ccccc12)C(F)F)N1CCOCC1
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
NS(=O)(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
Nc1cc(C(F)F)c(cn1)-c1nc(nc(n1)N1C2CCC1COC2)N1C2CCC1COC2
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1cccc(F)c1)C(F)(F)F
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccccc1)C(F)(F)F
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)C1(CC1)S(=O)(=O)c1ccccc1F)C(F)(F)F
Nc1cc(c(cn1)-c1cc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Nc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Nc1cc(c(cn1)-c1nc2N3CCOC[C@@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r|
Nc1cc(c(cn1)-c1nc2N3CCOC[C@H]3Cc2c(n1)N1CCOCC1)C(F)(F)F |r|
Nc1ccc(cc1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCC(=O)NO)c2n1
Nc1ccc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ccc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:17:21:26.27:24|
Nc1cccc2nc([C@@H](Nc3ncnc4nc[nH]c34)C3CC3)n(-c3ccccc3)c(=O)c12 |r|
Nc1cnc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1nc(Cl)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3c(F)ccc(Cl)c3c(=O)n2-c2cccnc2)n1 |r|
Nc1nc(N)c(C#N)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Nc1nc(N)c(C#N)c(n1)N1CC2(CC2)C[C@H]1c1nc2cccc(Cl)c2c(=O)n1-c1ccccc1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)n1 |r|
Nc1nc(N)c(Cl)c(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)n1 |r|
Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1
Nc1nc(N)c2nc(cnc2n1)-c1cccc(O)c1
Nc1nc(N)c2nc(cnc2n1)-c1cccc2[nH]ccc12
Nc1nc(N[C@@H](C2CC2)c2nc3c(Cl)cc(F)cc3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Nc1nc(N[C@@H](C2CC2)c2nc3cccc(Cl)c3c(=O)n2-c2cc[nH]n2)c(C#N)c(n1)C(F)F |r|
Nc1ncc(-c2nc(nc(n2)N2CCOCC2)N2CCOCC2)c(n1)C(F)(F)F
Nc1ncc(cc1C(F)(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ncc(cn1)-c1cc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)nc(n1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1ccnc(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCCCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCN(CC4CC4)Cc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCN(CC4CCNCC4)Cc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCN(CCc4ccc(F)cc4)Cc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)Nc1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)S(=O)(=O)C1CC1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(Cl)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)c(F)c1
Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)c1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CCN(Cc4ccc(F)cc4)Cc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CCNCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CN(CC4CC4)CCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CN(CC4CCNCC4)CCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)NCc1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)Nc1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)C(=O)c1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)C1CC1
Nc1ncc(cn1)-c1cn2c3CN(CCc3nc2c(n1)N1CCOCC1)S(=O)(=O)c1ccc(F)cc1
Nc1ncc(cn1)-c1cn2c3CN(Cc4ccc(F)cc4)CCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CNCCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2c3CNCc3nc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1cn2ccnc2c(n1)N1CCOCC1
Nc1ncc(cn1)-c1nc(N2CCC(CO)CC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCC(O)CC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ccn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
Nc1ncc(cn1)-c1nc(N2CCOCC2)c2ncn(CCNCc3ccc(\C=C\C(=O)NO)cc3)c2n1
Nc1ncc(cn1)-c1nc(nc(N[C@@]2(CO)CCN(C2)C(=O)OCC(F)F)c1F)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C(=O)Nc1ccccc1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CC(F)(F)C1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CCC(F)(F)C1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CCC1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CCCOC1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CCOCC1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)C=O)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)S(=O)(=O)C1CC1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)C1CN(C1)S(N)(=O)=O)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCC(F)(F)C1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCCOC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCN(C1)S(N)(=O)=O)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCNC(=O)C1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CCOC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1CC[C@@H](C1)S(N)(=O)=O)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@@H]1C[C@H](F)C1)N1CCOCC1 |r,wU:16.18,18.21,(-.05,6.75,;-.05,5.21,;1.29,4.44,;1.29,2.9,;-.05,2.13,;-1.38,2.9,;-1.38,4.44,;-.05,.59,;-1.38,-.18,;-1.38,-1.72,;-.05,-2.49,;1.29,-1.72,;2.75,-2.2,;3.66,-.95,;2.75,.3,;1.29,-.18,;3.52,-3.53,;3.12,-5.02,;4.61,-5.42,;5.38,-6.75,;5.01,-3.93,;-2.71,-2.49,;-4.05,-1.72,;-5.38,-2.49,;-5.38,-4.03,;-4.05,-4.8,;-2.71,-4.03,)|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCC(F)(F)C1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCCOC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)C(=O)CO)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)C=O)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)S(=O)(=O)C1CC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCN(C1)S(N)(=O)=O)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCNC(=O)C1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCNC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1CCOC1)N1CCOCC1 |r|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@@H](C1)C#N)N1CCOCC1 |r,wU:16.18,wD:18.23,(-.43,7.42,;-.43,5.88,;.9,5.11,;.9,3.57,;-.43,2.8,;-1.76,3.57,;-1.76,5.11,;-.43,1.26,;-1.76,.49,;-1.76,-1.05,;-.43,-1.82,;.9,-1.05,;2.37,-1.53,;3.27,-.28,;2.37,.96,;.9,.49,;3.14,-2.86,;4.62,-3.26,;4.23,-4.75,;2.74,-4.35,;5,-6.08,;5.77,-7.42,;-3.1,-1.82,;-4.43,-1.05,;-5.77,-1.82,;-5.77,-3.36,;-4.43,-4.13,;-3.1,-3.36,)|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@H](F)C1)N1CCOCC1 |r,wU:16.18,wD:18.21,(-.05,6.75,;-.05,5.21,;1.29,4.44,;1.29,2.9,;-.05,2.13,;-1.38,2.9,;-1.38,4.44,;-.05,.59,;-1.38,-.18,;-1.38,-1.72,;-.05,-2.49,;1.29,-1.72,;2.75,-2.2,;3.66,-.95,;2.75,.3,;1.29,-.18,;3.52,-3.53,;5.01,-3.93,;4.61,-5.42,;5.38,-6.75,;3.12,-5.02,;-2.71,-2.49,;-4.05,-1.72,;-5.38,-2.49,;-5.38,-4.03,;-4.05,-4.8,;-2.71,-4.03,)|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)[C@H]1C[C@H](O)C1)N1CCOCC1 |r,wU:16.18,wD:18.21,(-.05,6.75,;-.05,5.21,;1.29,4.44,;1.29,2.9,;-.05,2.13,;-1.38,2.9,;-1.38,4.44,;-.05,.59,;-1.38,-.18,;-1.38,-1.72,;-.05,-2.49,;1.29,-1.72,;2.75,-2.2,;3.66,-.95,;2.75,.3,;1.29,-.18,;3.52,-3.53,;5.01,-3.93,;4.61,-5.42,;5.38,-6.75,;3.12,-5.02,;-2.71,-2.49,;-4.05,-1.72,;-5.38,-2.49,;-5.38,-4.03,;-4.05,-4.8,;-2.71,-4.03,)|
Nc1ncc(cn1)-c1nc(nc2N(CCc12)c1cccnc1)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2n(CCCC(=O)NO)cnc12)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2n(CCCCC(=O)NO)cnc12)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2n(CCCCCC(=O)NO)cnc12)N1CCOCC1
Nc1ncc(cn1)-c1nc(nc2n(CCCCCCC(=O)NO)cnc12)N1CCOCC1
Nc1nccc(-c2cc(-c3nnc[nH]3)c3ncn(-c4ccnc5c(F)ccc(F)c45)c3c2)c1F
O=C(N1CCC(CC1)n1ncc2c(nc(nc12)-c1ccc2[nH]ccc2c1)N1CCOCC1)c1cccnc1
O=C(NCCN1CCOCC1)c1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc2[nH]ncc12
O=C(N\N=C\c1ccc[nH]1)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(N\N=C\c1ccccc1)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(N\N=C\c1ccccn1)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(N\N=C\c1ccco1)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1
O=C(Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
O=C(Nc1ccc(cc1)C#N)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(Nc1ccc(cc1)S(=O)(=O)Nc1nccs1)Nc1nc(N2CCOCC2)c2ccccc2n1
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1c(sc(N2CCOCC2)c1C#N)-c1nc[nH]n1
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cccnc2n1
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2ncccc2n1
O=C(Nc1ccccc1)Nc1nc(N2CCOCC2)c2ccccc2n1
O=C(Nc1ccncc1)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
O=C(Nc1cncnc1)Nc1nc(N2CCOCC2)c2ccccc2n1
O=S(=O)(Nc1nccs1)c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
O=c1[nH]c2ccc(cc2[nH]1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
O=c1cc(nc2c3ccccc3ccn12)N1CCOCC1
O=c1cc(oc2c(cccc12)-c1ccccc1)N1CCOCC1
OC(=O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
OC(=O)c1cc2nc(nc(N3CCOCC3)c2s1)N1CCOCC1
OC(CCN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C(F)(F)F)C(F)(F)F |THB:11:15:21.20:18|
OC(CCN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C1CC1)C1CC1 |TLB:11:15:20.21:18|
OC(CN1C(CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C(F)(F)F)C(F)(F)F |THB:10:14:20.19:17|
OC(CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F)(C1CC1)C1CC1 |TLB:10:14:19.20:17|
OC(COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)CN1CCOCC1
OC1(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:11:15:20.21:18|
OC1(CCN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CCCC1 |TLB:11:15:20.21:18|
OC1(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CC1 |TLB:10:14:19.20:17|
OC1(CN2[C@@H](CCn3c2nc(cc3=O)N2C[C@@H]3C[C@H]2CO3)C(F)(F)F)CCCC1 |TLB:10:14:19.20:17|
OCC(O)COc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
OCCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
OCCN1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc(O)c2)CC1
OCCNC(=O)Nc1nc(N2CCOCC2)c2ccccc2n1
OCCNc1ccc(cn1)C(=O)CN1[C@@H](CCn2c1nc(cc2=O)N1C[C@@H]2C[C@H]1CO2)C(F)(F)F |TLB:20:24:29.30:27|
OCCOC(=O)Nc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
OCCOc1cc(ccc1F)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCCOc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCCOc1cccc2n(c(nc12)C(F)F)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1
OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
OCCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
OCCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
OCc1cc2nc(nc(N3CCOCC3)c2s1)N1CCOCC1
OCc1cc2nc(nc(N3CCOCC3)c2s1)N1CCOc2ccccc12
OCc1cc2nc(nc(N3CCOCC3)c2s1)N1CCSCC1
OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)cc1
OCc1ccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)cc1
OCc1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
OCc1ccc(cc1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3cccnc3n2)c1
OCc1cccc(NC(=O)Nc2ccc(cc2)-c2nc(N3CCOCC3)c3ncccc3n2)c1
OCc1cccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)c1
OCc1cccc(c1)-c1nc(N2CCOCC2)c2ncn(CCCCCCC(=O)NO)c2n1
OCc1cn2cc(nc(N3CCOCC3)c2n1)-c1cccc(O)c1
ONC(=O)CCCCCCC(=O)Nc1ccccc1
ONC(=O)CCCCCCn1ccc2c(nc(nc12)-c1cccc(O)c1)N1CCOCC1
ONC(=O)CCCCCCn1cnc2c(nc(nc12)-c1ccc(F)c(O)c1)N1CCOCC1
ONC(=O)CCCCCCn1cnc2c(nc(nc12)-c1ccc2cn[nH]c2c1)N1CCOCC1
ONC(=O)CCCCCCn1cnc2c(nc(nc12)-c1cn[nH]c1)N1CCOCC1
ONC(=O)CCCCCCn1cnc2c(nc(nc12)N1CCOCC1)N1CCOCC1
ONC(=O)CCCCCn1cnc2c(nc(nc12)-c1ccc(F)c(O)c1)N1CCOCC1
O[C@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F)c1cc2ccccc2s1 |TLB:10:14:17.18:21|
O[C@H](CN1[C@@H](CCn2c1nc(cc2=O)N1CC2CCC(C1)O2)C(F)(F)F)c1ccccc1 |TLB:10:14:17.18:21|
Oc1cc(c(cn1)-c1nc(nc(n1)N1CCOCC1)N1CCOCC1)C(F)(F)F
Oc1cc(ccc1F)-n1c2c3cc[nH]c3ncc2ccc1=O
Oc1ccc(CCN2[C@@H](CCn3c2nc(cc3=O)N2CC3CCC(C2)O3)C(F)(F)F)cc1 |TLB:14:18:21.22:25|
Oc1ccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)cc1O
Oc1ccc(cc1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Oc1ccc(cc1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1cccc(\C=N\NC(=O)Nc2ccc(cc2)-c2c(sc(N3CCOCC3)c2C#N)-c2nc[nH]n2)c1
Oc1cccc(c1)-c1cc2c3cccnc3oc2c(n1)N1CCOCC1
Oc1cccc(c1)-c1cn2c(cnc2c(n1)N1CCOCC1)N1CCNCC1
Oc1cccc(c1)-c1cn2cc(CN3CCNC(=O)C3)nc2c(n1)N1CCOCC1
Oc1cccc(c1)-c1cn2cc(CN3CCOCC3)nc2c(n1)N1CCOCC1
Oc1cccc(c1)-c1cn2cc(nc2c(n1)N1CCOCC1)C(F)(F)F
Oc1cccc(c1)-c1cn2cc(nc2c(n1)N1CCOCC1)C1CC1
Oc1cccc(c1)-c1cn2ccnc2c(n1)N1CCOCC1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3ccccc3)c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(CC3)C(=O)c3cccnc3)c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4cccnc4)CC3)c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2cnn(C3CCNCC3)c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1
Oc1cccc(c1)-c1nc(N2CCOCC2)c2sccc2n1
Oc1ccccc1-c1cc2nc(-c3ccco3)c(nc2cc1Br)-c1ccco1
Oc1ccccc1-c1ccc2nc(-c3ccco3)c(nc2c1)-c1ccco1
Oc1ccccc1-c1nc(N2CCOCC2)c2cnn(C3CCN(Cc4ccccc4)CC3)c2n1
[#6]-[#7](-[#6]-c1nc2c(nc(nc2n1-[#6])-c1ccc(cc1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ncc(cn1)-[#6](=O)-[#7]-[#8]
[H][C@@]12CCC(=O)[C@@]1(C)C[C@@H](OC(C)=O)C1=C2C(=O)c2occ3c2[C@]1(C)[C@@H](COC)OC3=O |r,c:15|
[H][C@@]12Cc3c(nc(nc3-c3ccc(N)nc3)N3CCOCC3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CC4CCC(C3)O4)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCCCC3)-c3cnc(N)cc3C(F)(F)F)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCOCC3(C)C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCOCC3)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCOCC3)-c3cnc(N)cc3C(F)(F)F)N1CCCC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCOC[C@@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3-c3ccc(N)nc3)N3CCOCC3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3C4CCC3COC4)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CC4CCC(C3)O4)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCCCC3)-c3cnc(N)cc3C(F)(F)F)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOCC3(C)C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOCC3)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOCC3)-c3cnc(N)cc3C(F)(F)F)N1CCCC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3ccc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)c(C)c3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3C(OC)OC)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3C)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cc3OC)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)cn3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3)N1CCOC2 |r|
[H][C@]12Cc3c(nc(nc3N3CCOC[C@H]3C)-c3cnc(N)nc3C(OC)OC)N1CCOC2 |r|
c1ccc(cc1)-c1nc2ccccc2nc1-c1ccccc1
c1coc(c1)-c1nc2ccc(cc2nc1-c1ccco1)-c1cc2ccccc2o1
c1coc(c1)-c1nc2ccc(cc2nc1-c1ccco1)-c1cc2ccccc2s1
c1coc(c1)-c1nc2ccc(cc2nc1-c1ccco1)-c1ccccc1
c1coc(c1)-c1nc2ccc(cc2nc1-c1ccco1)-c1ccncc1
c1csc(c1)-c1nc2ccccc2nc1-c1cccs1